Reaction Details
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ATP-binding cassette sub-family C member 3
Ligand
BDBM50581550
Substrate
n/a
Meas. Tech.
ChEMBL_2151402 (CHEMBL5035864)
IC50
22000±n/a nM
Citation
Cheng, PTW; Kaltenbach, RF; Zhang, H; Shi, J; Tao, S; Li, J; Kennedy, LJ; Walker, SJ; Shi, Y; Wang, Y; Dhanusu, S; Reddigunta, R; Kumaravel, S; Jusuf, S; Smith, D; Krishnananthan, S; Li, J; Wang, T; Heiry, R; Sum, CS; Kalinowski, SS; Hung, CP; Chu, CH; Azzara, AV; Ziegler, M; Burns, L; Zinker, BA; Boehm, S; Taylor, J; Sapuppo, J; Mosure, K; Everlof, G; Guarino, V; Zhang, L; Yang, Y; Ruan, Q; Xu, C; Apedo, A; Traeger, SC; Cvijic, ME; Lentz, KA; Tirucherai, G; Sivaraman, L; Robl, J; Ellsworth, BA; Rosen, G; Gordon, DA; Soars, MG; Gill, M; Murphy, BJ Discovery of an Oxycyclohexyl Acid Lysophosphatidic Acid Receptor 1 (LPA J Med Chem 64:15549-15581 (2021) [PubMed] Article More Info.:
Target
Name:
ATP-binding cassette sub-family C member 3
Synonyms:
ABCC3 | ATP-binding cassette sub-family C member 3 | CMOAT2 | Canalicular multispecific organic anion transporter 2 | MLP2 | MOAT-D | MRP3 | MRP3_HUMAN | Multi-specific organic anion transporter D | Multidrug resistance-associated protein 3
Type:
PROTEIN
Mol. Mass.:
169352.45
Organism:
Homo sapiens (Human)
Description:
ChEMBL_735421
Residue:
1527
Sequence:
MDALCGSGELGSKFWDSNLSVHTENPDLTPCFQNSLLAWVPCIYLWVALPCYLLYLRHHCRGYIILSHLSKLKMVLGVLLWCVSWADLFYSFHGLVHGRAPAPVFFVTPLVVGVTMLLATLLIQYERLQGVQSSGVLIIFWFLCVVCAIVPFRSKILLAKAEGEISDPFRFTTFYIHFALVLSALILACFREKPPFFSAKNVDPNPYPETSAGFLSRLFFWWFTKMAIYGYRHPLEEKDLWSLKEEDRSQMVVQQLLEAWRKQEKQTARHKASAAPGKNASGEDEVLLGARPRPRKPSFLKALLATFGSSFLISACFKLIQDLLSFINPQLLSILIRFISNPMAPSWWGFLVAGLMFLCSMMQSLILQHYYHYIFVTGVKFRTGIMGVIYRKALVITNSVKRASTVGEIVNLMSVDAQRFMDLAPFLNLLWSAPLQIILAIYFLWQNLGPSVLAGVAFMVLLIPLNGAVAVKMRAFQVKQMKLKDSRIKLMSEILNGIKVLKLYAWEPSFLKQVEGIRQGELQLLRTAAYLHTTTTFTWMCSPFLVTLITLWVYVYVDPNNVLDAEKAFVSVSLFNILRLPLNMLPQLISNLTQASVSLKRIQQFLSQEELDPQSVERKTISPGYAITIHSGTFTWAQDLPPTLHSLDIQVPKGALVAVVGPVGCGKSSLVSALLGEMEKLEGKVHMKGSVAYVPQQAWIQNCTLQENVLFGKALNPKRYQQTLEACALLADLEMLPGGDQTEIGEKGINLSGGQRQRVSLARAVYSDADIFLLDDPLSAVDSHVAKHIFDHVIGPEGVLAGKTRVLVTHGISFLPQTDFIIVLADGQVSEMGPYPALLQRNGSFANFLCNYAPDEDQGHLEDSWTALEGAEDKEALLIEDTLSNHTDLTDNDPVTYVVQKQFMRQLSALSSDGEGQGRPVPRRHLGPSEKVQVTEAKADGALTQEEKAAIGTVELSVFWDYAKAVGLCTTLAICLLYVGQSAAAIGANVWLSAWTNDAMADSRQNNTSLRLGVYAALGILQGFLVMLAAMAMAAGGIQAARVLHQALLHNKIRSPQSFFDTTPSGRILNCFSKDIYVVDEVLAPVILMLLNSFFNAISTLVVIMASTPLFTVVILPLAVLYTLVQRFYAATSRQLKRLESVSRSPIYSHFSETVTGASVIRAYNRSRDFEIISDTKVDANQRSCYPYIISNRWLSIGVEFVGNCVVLFAALFAVIGRSSLNPGLVGLSVSYSLQVTFALNWMIRMMSDLESNIVAVERVKEYSKTETEAPWVVEGSRPPEGWPPRGEVEFRNYSVRYRPGLDLVLRDLSLHVHGGEKVGIVGRTGAGKSSMTLCLFRILEAAKGEIRIDGLNVADIGLHDLRSQLTIIPQDPILFSGTLRMNLDPFGSYSEEDIWWALELSHLHTFVSSQPAGLDFQCSEGGENLSVGQRQLVCLARALLRKSRILVLDEATAAIDLETDNLIQATIRTQFDTCTVLTIAHRLNTIMDYTRVLVLDKGVVAEFDSPANLIAARGIFYGMARDAGLA
Inhibitor
Name:
BDBM50581550
Synonyms:
AP-3152 FREE ACID | BMS-986020 | Bms-986020
Type:
Small organic molecule
Emp. Form.:
C29H26N2O5
Mol. Mass.:
482.5271
SMILES:
C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
Structure:
