Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
MS2MODELS_P73 (2018 - Homo sapiens - Partenaires de la protéine P73 sauvage)
Download : Data.csv | 3D Common Core | 3D Models

Tab legend : Full name of ligand selected in the comparative docking column: General color information : Quality: [ Good | Correct | Uncertain ]

Query		Structural Alignment (SA)		3D Modeling	Annotation	Ligands from PDB templates			Predicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]
	Query Sequence Filter:	Significants SA found	Seq Ident.	3D Core (QMean Score)	Classification code Uniprot Pfam Prosite Smart Cath ECNumber	Binding Site	Ligands Found (Procognate)	Profile	Complexes by comparative docking (ligands from PDB templates) ALL ADP - [nb=13] --> ADENOSINE-5'-DIPHOSPHATE GTP - [nb=8] --> GUANOSINE-5'-TRIPHOSPHATE ATP - [nb=5] --> ADENOSINE-5'-TRIPHOSPHATE 4OL - [nb=5] --> .....ropyridine-2-carboxamide] VAL - [nb=4] --> VALINE GDP - [nb=4] --> GUANOSINE-5'-DIPHOSPHATE LP3 - [nb=4] --> .....TACOSAN-1-AMINIUM 4-OXIDE GUN - [nb=3] --> GUANINE GOL - [nb=3] --> GLYCEROL DBH - [nb=3] --> .....,3-DIHYDROXY-BENZOIC ACID K7I - [nb=2] --> .....ROXYPROPYL]-L-ALANINAMIDE TXC - [nb=2] --> .....)METHOXY]ETHYL L-VALINATE O2V - [nb=2] --> .....FANYLETHYL]PENTANOIC ACID MPD - [nb=2] --> .....-2-METHYL-2,4-PENTANEDIOL DAO - [nb=2] --> LAURIC ACID TC2 - [nb=2] --> .....dropyridine-2-carboxamide 2SP - [nb=2] --> .....OXY)METHYL]ETHYL STEARATE XU3 - [nb=2] --> .....PYRROLIDINE-2-CARBOXAMIDE APR - [nb=2] --> .....ENOSINE-5-DIPHOSPHORIBOSE 8QQ - [nb=2] --> .....olo[4,3-d]pyrimidin-7-one IPA - [nb=2] --> ISOPROPYL ALCOHOL EB4 - [nb=2] --> .....s(2,3-dihydroxybenzamide) K7J - [nb=2] --> .....ROXYPROPYL]-L-PROLINAMIDE TRS - [nb=2] --> .....XYMETHYL-PROPANE-1,3-DIOL YJ9 - [nb=2] --> .....PYRROLIDINE-2-CARBOXAMIDE 8RN - [nb=1] --> .....eno[3,2-d]pyrimidin-4-one YJ2 - [nb=1] --> .....PYRROLIDINE-2-CARBOXAMIDE PEA - [nb=1] --> 2-PHENYLETHYLAMINE PR1 - [nb=1] --> .....N-1-YLMETHYL]-BENZAMIDINE CIT - [nb=1] --> CITRIC ACID 5VT - [nb=1] --> .....olidine-1,2-dicarboxamide 1OD - [nb=1] --> .....1,3-OXAZOLE-4-CARBOXAMIDE MES - [nb=1] --> .....LINO)-ETHANESULFONIC ACID OLA - [nb=1] --> OLEIC ACID UNL - [nb=1] --> UNKNOWN LIGAND SIN - [nb=1] --> SUCCINIC ACID LPE - [nb=1] --> .....-GLYCERO-3-PHOSPHOCHOLINE RH2 - [nb=1] --> .....2-yl]methyl}-L-lysinamide DJT - [nb=1] --> .....PYRROLIDINE-2-CARBOXAMIDE NAP - [nb=1] --> .....NE-DINUCLEOTIDE PHOSPHATE MLA - [nb=1] --> MALONIC ACID QED - [nb=1] --> .....ROPYRIDINE-2-CARBOXAMIDE) 0X9 - [nb=1] --> N~2~-sulfamoyl-L-arginine 9QD - [nb=1] --> .....iperazin-1-yl)propanamide SVC - [nb=1] --> .....entan-2-yl]-L-leucinamide I0X - [nb=1] --> .....OPYL]-L-PHENYLALANINAMIDE NSY - [nb=1] --> .....THYL)-L-PHENYLALANINAMIDE I0Y - [nb=1] --> .....2-YL]-L-PHENYLALANINAMIDE MYR - [nb=1] --> MYRISTIC ACID 0IW - [nb=1] --> .....3-YL]-L-PHENYLALANINAMIDE BTB - [nb=1] --> .....XYMETHYL-PROPANE-1,3-DIOL ASP - [nb=1] --> ASPARTIC ACID GLY - [nb=1] --> GLYCINE XAN - [nb=1] --> XANTHINE GOH - [nb=1] --> .....-YL]-1H-1,2,3,4-TETRAZOLE 8WK - [nb=1] --> .....olo[3,4-d]pyrimidin-4-one 9QA - [nb=1] --> .....thyl}quinazolin-4(3H)-one 4OZ - [nb=1] --> .....zoyl)-O-formyl-L-serinate XU5 - [nb=1] --> .....PYRROLIDINE-2-CARBOXAMIDE NBV - [nb=1] --> .....YL)PIPERIDINE-3,4,5-TRIOL O2S - [nb=1] --> .....fanylethyl]pentanoic acid BTW - [nb=1] --> .....L-3-SULFANYLBUTANOIC ACID 488 - [nb=1] --> .....OLIDINE-4-CARBOXYLIC ACID YJ8 - [nb=1] --> .....PYRROLIDINE-2-CARBOXAMIDE 2DS - [nb=1] --> .....YDROXYPROPANOYL]-L-SERINE ANP - [nb=1] --> .....ONIC ACID-ADENYLATE ESTER PFS - [nb=1] --> .....GLYCEROL-3-PHOSPHOCHOLINE EDO - [nb=1] --> 1,2-ETHANEDIOL 424 - [nb=1] --> .....PYRROLIDINE-2-CARBOXAMIDE 5T9 - [nb=1] --> .....pyrrolidine-2-carboxamide TMO - [nb=1] --> TRIMETHYLAMINE OXIDE RKS - [nb=1] --> .....L-N~6~-HYDROXY-L-LYSINATE 8R3 - [nb=1] --> .....thanoylamino]benzoic acid SBA - [nb=1] --> .....CINYL METHOXYMETHYLKETONE 8VX - [nb=1] --> .....sulfonyl)phenyl)acetamide 9HS - [nb=1] --> .....thyl)quinazolin-4(3H)-one NSX - [nb=1] --> .....ENYLETHYL)-L-TYROSINAMIDE GLU - [nb=1] --> GLUTAMIC ACID INS - [nb=1] --> .....6-HEXAHYDROXY-CYCLOHEXANE	Targets for screening
	Sort by entries	[Nb of SA]	[Best Ident]	[Best Score]	Main Code	[Name]	[Number]	[Number]	Distribution of CDocking pKd	[Number]
1	CBPA4_HUMAN	26	100%	0.60	PF02244	C2_S1	22 - (0)	20	- / - / 16	5
2	HSP76_HUMAN	26	100%	0.78	PF00012	C2_S1	24 - (0)	8	4 / 14 / 3	3
3	CATL2_HUMAN	23	99%	0.81	PF00112	C2_S1	32 - (0)	20	- / 3 / 15	13
4	TBB3_HUMAN	23	100%	0.48	PF03953	C2_S1	14 - (0)	4	1 / 3 / 8	2
5	NGAL_HUMAN	22	99%	0.78	PF00061	C4_S1	26 - (0)	15	- / 8 / 10	7
6	KLK10_HUMAN	22	46%	0.51	PF00089	C2_S1	16 - (0)	16	- / 1 / 10	1
7	P73_HUMAN	21	100%	0.59	PF07647	C3_S1	2 - (0)	1	- / - / 1	0
8	STS_HUMAN	20	99%	0.55	PF00884		8 - (0)	1	- / - / -	0
9	H2B2E_HUMAN	20	99%	0.61	PF00125		0 - (0)	?	- / - / -	0
10	CASPE_HUMAN	20	34%	0.60	-		6 - (0)	?	- / - / -	0
11	LOXE3_HUMAN	20	55%	0.46	PF01477		17 - (0)	?	- / - / -	0
12	DR9C7_HUMAN	20	34%	0.45	PF00106	C4_S1	25 - (22)	2	- / - / 1	0
13	GLCM_HUMAN	20	100%	0.82	PF17189	C3_S1	6 - (3)	6	- / - / 3	3
14	RL40_HUMAN	20	100%	0.77	PF00240		0 - (0)	?	- / - / -	0
15	H4_HUMAN	20	100%	0.58	PF15511		0 - (0)	?	- / - / -	0
16	P63_HUMAN	20	100%	0.56	PF07647		0 - (0)	1	- / - / -	0
17	WWP2_HUMAN	20	90%	0.78	PF00397		2 - (0)	2	- / - / -	0
18	IMA4_HUMAN	20	91%	0.55	PF01749	C2_S1	2 - (0)	2	- / - / 1	0
19	GUAD_HUMAN	20	100%	0.54	PF01979	C1_S1	11 - (7)	6	- / 2 / 5	3
20	H32_HUMAN	19	100%	0.42	PF00125		1 - (0)	1	- / - / -	0
21	WWP1_HUMAN	19	100%	0.80	PF00397		2 - (0)	2	- / - / -	0
22	PCP_HUMAN	19	100%	0.57	PF05577		8 - (0)	1	- / - / -	0
23	H2A2C_HUMAN	19	98%	0.61	PF16211		0 - (0)	?	- / - / -	0
24	NED4L_HUMAN	19	100%	0.63	PF00397		2 - (0)	2	- / - / -	0
25	H2AY_HUMAN	18	100%	0.51	PF01661	C5_S1	6 - (0)	3	2 / - / 1	2
26	SAP3_HUMAN	18	100%	0.58	PF02221	C5_S1	57 - (0)	12	- / 7 / 7	2
27	SPA12_HUMAN	18	100%	0.57	PF00079	C1_S1	3 - (0)	1	- / - / 1	1
28	ITCH_HUMAN	18	99%	0.49	PF00397		2 - (0)	2	- / - / -	0
29	SPB4_HUMAN	17	91%	0.47	PF00079	C3_S1	2 - (0)	1	- / - / 1	0
30	UBP7_HUMAN	17	100%	0.62	PF12436	C4_S1	10 - (0)	7	6 / 1 / 1	6
31	ASAH1_HUMAN	15	20%	0.37	PF02275		2 - (2)	?	- / - / -	0
32	K1C18_HUMAN	14	48%	0.57	PF00932		0 - (0)	?	- / - / -	0

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