Ki Summary

Reaction Details

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Target

Solute carrier organic anion transporter family member 1B3

Ligand

BDBM50005106

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1265867 (CHEMBL3039493)

1550±n/a nM

Citation

De Bruyn, T; van Westen, GJ; Ijzerman, AP; Stieger, B; de Witte, P; Augustijns, PF; Annaert, PP Structure-based identification of OATP1B1/3 inhibitors. Mol Pharmacol83:1257-67 (2013) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Solute carrier organic anion transporter family member 1B3

Name:

Solute carrier organic anion transporter family member 1B3

Synonyms:

Type:

Protein

Mol. Mass.:

77425.75

Organism:

Homo sapiens (Human)

Description:

Q9NPD5

Residue:

702

Sequence:

MDQHQHLNKTAESASSEKKKTRRCNGFKMFLAALSFSYIAKALGGIIMKISITQIERRFD
ISSSLAGLIDGSFEIGNLLVIVFVSYFGSKLHRPKLIGIGCLLMGTGSILTSLPHFFMGY
YRYSKETHINPSENSTSSLSTCLINQTLSFNGTSPEIVEKDCVKESGSHMWIYVFMGNML
RGIGETPIVPLGISYIDDFAKEGHSSLYLGSLNAIGMIGPVIGFALGSLFAKMYVDIGYV
DLSTIRITPKDSRWVGAWWLGFLVSGLFSIISSIPFFFLPKNPNKPQKERKISLSLHVLK
TNDDRNQTANLTNQGKNVTKNVTGFFQSLKSILTNPLYVIFLLLTLLQVSSFIGSFTYVF
KYMEQQYGQSASHANFLLGIITIPTVATGMFLGGFIIKKFKLSLVGIAKFSFLTSMISFL
FQLLYFPLICESKSVAGLTLTYDGNNSVASHVDVPLSYCNSECNCDESQWEPVCGNNGIT
YLSPCLAGCKSSSGIKKHTVFYNCSCVEVTGLQNRNYSAHLGECPRDNTCTRKFFIYVAI
QVINSLFSATGGTTFILLTVKIVQPELKALAMGFQSMVIRTLGGILAPIYFGALIDKTCM
KWSTNSCGAQGACRIYNSVFFGRVYLGLSIALRFPALVLYIVFIFAMKKKFQGKDTKASD
NERKVMDEANLEFLNNGEHFVPSAGTDSKTCNLDMQDNAAAN

BDBM50005106

n/a

Name

BDBM50005106

Synonyms:

Type

Small organic molecule

Emp. Form.

C19H18Cl2N3NaO6S

Mol. Mass.

510.323

SMILES

O.[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O |r,wU:12.12,wD:8.31,3.0,(6.98,-14.68,;16.02,-15.01,;11.59,-9.06,;11.6,-10.6,;13.07,-10.12,;13.98,-11.39,;15.12,-10.34,;15.12,-12.4,;13.07,-12.62,;11.6,-12.13,;10.06,-12.13,;9,-13.24,;10.06,-10.6,;8.75,-9.85,;7.4,-10.58,;7.39,-12.12,;6.06,-9.82,;4.82,-10.74,;4.81,-12.26,;3.59,-9.8,;4.05,-8.34,;5.61,-8.35,;6.37,-7.01,;7.92,-7.01,;8.7,-8.35,;8.67,-5.69,;7.91,-4.36,;6.37,-4.35,;5.61,-5.69,;4.06,-5.66,;13.11,-14.17,;14.47,-14.9,;11.8,-14.97,)|

Structure