| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C9_S1 |
| Complex: BEZ_A_5(3HGI) / Model_11(3HGI/A) = [3.1]
| Download | 394.61 | 34.94 | MTVKISQTADVQRFFEEASGQLNERGDPRTKALVRRILDDTAKLIEEMQVTPDEFWKAVDYLNRLGSRQEAGLLAAGLGLEHYLDLLLDAQDAEAGLTGGTPRTIEGPLYVAGAPLSDGEARMDDGRDAGTVMFLQGRVSGPDGQPLAGAIVDVWHANTQGTYSYFDSSQSEYNLRRRIRTDADGRYRARSIVPSGYGCPSDGPTQELLDRLGRHGQRPAHIHFFVSAPGHRHLTTQINLAGDRYLWDDFAYATRDGLIGDLRFNDDPAAARDRGVEGGRFAELDFDFQLQASPAPAAERRSQRPRALQG |
| Complex: CAQ_B_7(1DLT) / Model_22(1DLT/B) = [3.1]
| Download | 241.98 | 29.50 | MTVKISQTADVQRFFEEASGQLNERGDPRTKALVRRILDDTAKLIEEMQVTPDEFWKAVDYLNRLGSRQEAGLLAAGLGLEHYLDLLLDAQDAEAGLTGGTPRTIEGPLYVAGAPLSDGEARMDDGRDAGTVMFLQGRVSGPDGQPLAGAIVDVWHANTQGTYSYFDSSQSEYNLRRRIRTDADGRYRARSIVPSGYGCPSDGPTQELLDRLGRHGQRPAHIHFFVSAPGHRHLTTQINLAGDRYLWDDFAYATRDGLIGDLRFNDDPAAARDRGVEGGRFAELDFDFQLQASPAPAAERRSQRPRALQG |
| Complex: MCT_A_5(1DMH) / Model_162(1DMH/A) = [3.2]
| Download | 232.63 | 23.39 | MTVKISQTADVQRFFEEASGQLNERGDPRTKALVRRILDDTAKLIEEMQVTPDEFWKAVDYLNRLGSRQEAGLLAAGLGLEHYLDLLLDAQDAEAGLTGGTPRTIEGPLYVAGAPLSDGEARMDDGRDAGTVMFLQGRVSGPDGQPLAGAIVDVWHANTQGTYSYFDSSQSEYNLRRRIRTDADGRYRARSIVPSGYGCPSDGPTQELLDRLGRHGQRPAHIHFFVSAPGHRHLTTQINLAGDRYLWDDFAYATRDGLIGDLRFNDDPAAARDRGVEGGRFAELDFDFQLQASPAPAAERRSQRPRALQG |
| Complex: MCT_A_5(1DMH) / Model_5(1DMH/A) = [3.2]
| Download | 247.36 | 23.39 | MTVKISQTADVQRFFEEASGQLNERGDPRTKALVRRILDDTAKLIEEMQVTPDEFWKAVDYLNRLGSRQEAGLLAAGLGLEHYLDLLLDAQDAEAGLTGGTPRTIEGPLYVAGAPLSDGEARMDDGRDAGTVMFLQGRVSGPDGQPLAGAIVDVWHANTQGTYSYFDSSQSEYNLRRRIRTDADGRYRARSIVPSGYGCPSDGPTQELLDRLGRHGQRPAHIHFFVSAPGHRHLTTQINLAGDRYLWDDFAYATRDGLIGDLRFNDDPAAARDRGVEGGRFAELDFDFQLQASPAPAAERRSQRPRALQG |
| Complex: CAQ_A_5(3HHY) / Model_165(3HHY/A) = [3.2]
| Download | 233.62 | 29.56 | MTVKISQTADVQRFFEEASGQLNERGDPRTKALVRRILDDTAKLIEEMQVTPDEFWKAVDYLNRLGSRQEAGLLAAGLGLEHYLDLLLDAQDAEAGLTGGTPRTIEGPLYVAGAPLSDGEARMDDGRDAGTVMFLQGRVSGPDGQPLAGAIVDVWHANTQGTYSYFDSSQSEYNLRRRIRTDADGRYRARSIVPSGYGCPSDGPTQELLDRLGRHGQRPAHIHFFVSAPGHRHLTTQINLAGDRYLWDDFAYATRDGLIGDLRFNDDPAAARDRGVEGGRFAELDFDFQLQASPAPAAERRSQRPRALQG |
Consensus
[pKd Mean = 3.16] | - | 270
(s=62) | 28
(s=4) | MTVKISQTADVQRFFEEASGQLNERGDPRTKALVRRILDDTAKLIEEMQVTPDEFWKAVDYLNRLGSRQEAGLLAAGLGLEHYLDLLLDAQDAEAGLTGGTPRTIEGPLYVAGAPLSDGEARMDDGRDAGTVMFLQGRVSGPDGQPLAGAIVDVWHANTQGTYSYFDSSQSEYNLRRRIRTDADGRYRARSIVPSGYGCPSDGPTQELLDRLGRHGQRPAHIHFFVSAPGHRHLTTQINLAGDRYLWDDFAYATRDGLIGDLRFNDDPAAARDRGVEGGRFAELDFDFQLQASPAPAAERRSQRPRALQG |