Ki Summary

Reaction Details

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Target

Coagulation factor VII

Ligand

BDBM50127214

Substrate

n/a

Meas. Tech.

ChEMBL_48461 (CHEMBL663024)

IC50

2.4±n/a nM

Citation

Zobel, K; Koehler, MF; Beresini, MH; Caris, LD; Combs, D Phosphate ester serum albumin affinity tags greatly improve peptide half-life in vivo. Bioorg Med Chem Lett 13:1513-5 (2003) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

Name:

Coagulation factor VII

Synonyms:

Type:

Enzyme

Mol. Mass.:

51599.89

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

466

Sequence:

MVSQALRLLCLLLGLQGCLAAGGVAKASGGETRDMPWKPGPHRVFVTQEEAHGVLHRRRRANAFLEELRPGSLERECKEEQCSFEEAREIFKDAERTKLFWISYSDGDQCASSPCQNGGSCKDQLQSYICFCLPAFEGRNCETHKDDQLICVNENGGCEQYCSDHTGTKRSCRCHEGYSLLADGVSCTPTVEYPCGKIPILEKRNASKPQGRIVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWRNLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNVPRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP

Inhibitor

Name:

BDBM50127214

Synonyms:

ALCDNPRIDRWYCQFVEG peptide analogue | CHEMBL2372334

Type:

Small organic molecule

Emp. Form.:

C113H165N28O32PS2

Mol. Mass.:

2522.791

SMILES:

[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCN=C(N)N)NC2=O)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCCCCOP(O)(=O)OCCCCCc1ccccc1 |wU:8.9,70.74,16.17,110.114,45.47,128.133,33.34,83.87,59.63,152.158,94.99,wD:29.102,24.146,144.154,121.126,101.105,78.82,1.0,(-17.32,12.85,;-15.69,11.95,;-17.2,11.64,;-17.36,10.11,;-15.95,9.49,;-14.92,10.62,;-13.92,9.46,;-15.02,8.37,;-12.72,8.48,;-13.6,7.24,;-12.92,5.85,;-13.81,4.55,;-11.35,5.71,;-11.37,7.72,;-9.91,7.24,;-10.28,5.75,;-8.38,7.01,;-8.47,5.47,;-7.19,4.62,;-7.26,3.09,;-5.78,5.32,;-6.85,7.05,;-5.31,7.38,;-4.87,5.92,;-3.9,7.95,;-2.57,8.77,;-1.46,9.81,;-.53,11.04,;.17,12.43,;.59,13.9,;.77,15.41,;.64,16.94,;2.17,17.2,;.26,18.42,;1.7,18.94,;2.82,20.06,;2.4,21.54,;3.49,22.66,;5,22.24,;6.12,23.33,;5.42,20.75,;4.33,19.64,;-.39,19.82,;-1.29,21.08,;-.11,22.06,;-2.39,22.15,;-1.41,23.36,;-.18,24.14,;.91,23.08,;2.31,23.77,;2.05,25.26,;3,26.47,;2.45,27.91,;.91,28.13,;-.04,26.93,;.54,25.52,;-3.66,23.01,;-5.08,23.63,;-4.57,25.08,;-6.57,24,;-6.36,25.53,;-4.92,26.07,;-4.66,27.58,;-3.24,28.14,;-3.01,29.68,;-4.22,30.63,;-1.55,30.23,;-8.12,24.09,;-9.66,23.91,;-10.01,25.42,;-11.14,23.47,;-11.72,24.87,;-13.25,25.1,;-13.85,26.52,;-14.27,24.59,;-12.51,22.75,;-13.74,21.81,;-14.78,22.93,;-14.76,20.68,;-16.6,20.35,;-15.57,19.38,;-16.15,17.96,;-17.64,18.36,;-16.43,16.43,;-17.99,16.6,;-18.59,18,;-20.17,18.18,;-20.77,19.55,;-22.31,19.72,;-22.95,21.13,;-23.23,18.48,;-16.46,14.92,;-16.22,13.39,;-17.73,13.02,;-15.99,21.61,;-17.43,20.99,;-15.83,23.12,;-17.06,24.03,;2.12,13.59,;2.61,12.14,;3.14,14.75,;4.65,14.46,;5.17,12.99,;6.68,12.72,;7.19,11.25,;6.16,10.11,;8.67,10.95,;5.68,15.6,;5.19,17.06,;7.19,15.31,;8.21,16.47,;7.7,17.92,;8.72,19.06,;8.23,20.52,;9.25,21.68,;10.76,21.38,;11.28,19.94,;10.23,18.78,;9.74,16.18,;10.23,14.71,;10.74,17.32,;12.27,17.03,;12.76,15.57,;14.3,15.27,;11.74,14.43,;13.3,18.19,;12.79,19.63,;14.81,17.9,;15.83,19.03,;15.32,20.5,;16.34,21.64,;15.83,23.1,;14.34,23.4,;16.85,24.26,;17.34,18.75,;17.85,17.29,;18.34,19.91,;19.87,19.59,;20.89,20.75,;22.4,20.45,;20.38,22.22,;-3.18,6.59,;-3.22,5.06,;-4.57,4.3,;-1.9,4.27,;-.27,4.96,;1.26,4.74,;2.23,5.99,;1.84,3.34,;-1.92,2.73,;-.6,1.94,;.75,2.69,;-.62,.41,;-1.97,-.33,;.7,-.38,;2.21,.02,;2.61,1.49,;3.6,-.64,;3.72,-2.17,;5.11,-2.84,;5.23,-4.38,;6.61,-5.04,;6.74,-6.58,;8.13,-7.25,;9.53,-7.91,;8.79,-5.85,;7.47,-8.64,;8.34,-9.9,;9.87,-9.8,;10.73,-11.07,;12.27,-10.97,;13.13,-12.23,;14.64,-12.11,;15.5,-13.39,;17.03,-13.29,;17.7,-11.9,;16.83,-10.62,;15.31,-10.74,)|

Structure: