BioLiP

PDB

BioLiP

PDB CCD ID:

T4U

Number of entries in BioLiP:

Chemical formula:

C11 H14 Cl N

InChI:

InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1

InChIKey:

XTTZERNUQAFMOF-QMMMGPOBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1cc2c(CCNCC2C)cc1
OpenEye OEToolkits 2.0.7	C[C@H]1CNCCc2c1cc(cc2)Cl
CACTVS 3.385	C[CH]1CNCCc2ccc(Cl)cc12
CACTVS 3.385	C[C@H]1CNCCc2ccc(Cl)cc12
OpenEye OEToolkits 2.0.7	CC1CNCCc2c1cc(cc2)Cl

Name:

(1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;
Lorcaserin

ChEMBL:

CHEMBL360328

DrugBank:

DB04871

ZINC:

ZINC000006733300

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).