Ki Summary

Reaction Details

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Target

Collagenase 3

Ligand

BDBM50101729

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_106479

IC50

1±n/a nM

Citation

Tullis, JS; Laufersweiler, MJ; VanRens, JC; Natchus, MG; Bookland, RG; Almstead, NG; Pikul, S; De, B; Hsieh, LC; Janusz, MJ; Branch, TM; Peng, SX; Jin, YY; Hudlicky, T; Oppong, K The development of new carboxylic acid-based MMP inhibitors derived from a cyclohexylglycine scaffold. Bioorg Med Chem Lett11:1975-9 (2001) [PubMed]

More Info.:

Get all data from this article, Assay Method

Collagenase 3

Name:

Collagenase 3

Synonyms:

Type:

Enzyme

Mol. Mass.:

53808.06

Organism:

Homo sapiens (Human)

Description:

P45452

Residue:

471

Sequence:

MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENA
ASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTY
RIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDG
PSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALM
FPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGET
MIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGY
DILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLI
EEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC

BDBM50101729

n/a

Name

BDBM50101729

Synonyms:

((S)-4'-Methoxy-biphenyl-4-sulfonylamino)-[4-(2-oxo-imidazolidin-1-yl)-cyclohexyl]-acetic acid | CHEMBL293411

Type

Small organic molecule

Emp. Form.

C24H29N3O6S

Mol. Mass.

487.569

SMILES

COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCC(CC1)N1CCNC1=O)C(O)=O |wD:18.19,(18.85,2.12,;17.51,2.89,;16.18,2.12,;14.84,2.86,;13.52,2.09,;13.53,.55,;14.86,-.22,;16.19,.55,;12.2,-.22,;12.2,-1.76,;10.86,-2.53,;9.53,-1.76,;9.53,-.22,;10.86,.55,;8.2,-2.53,;7.1,-3.62,;9.29,-3.62,;6.86,-1.76,;5.51,-2.53,;5.53,-4.07,;6.86,-4.84,;6.84,-6.38,;5.51,-7.15,;4.18,-6.38,;4.18,-4.84,;5.51,-8.69,;6.77,-9.6,;6.28,-11.07,;4.74,-11.04,;4.28,-9.6,;2.81,-9.11,;4.18,-1.76,;2.85,-2.53,;4.18,-.22,)|

Structure