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BioLiP

PDB CCD ID: T4U
Number of entries in BioLiP: 3
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:
SoftwareSMILES
ACDLabs 12.01Clc1cc2c(CCNCC2C)cc1
OpenEye OEToolkits 2.0.7C[C@H]1CNCCc2c1cc(cc2)Cl
CACTVS 3.385C[CH]1CNCCc2ccc(Cl)cc12
CACTVS 3.385C[C@H]1CNCCc2ccc(Cl)cc12
OpenEye OEToolkits 2.0.7CC1CNCCc2c1cc(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, Peter L 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).

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