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BioLiP

PDB CCD ID: 2J1
Number of entries in BioLiP: 1
Chemical formula: C13 H12 Cl N O2
InChI: InChI=1S/C13H12ClNO2/c14-10-5-8-7-3-1-2-4-11(7)15-12(8)6-9(10)13(16)17/h5-6,15H,1-4H2,(H,16,17)
InChIKey: QPXAEUZWZDSOOF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1c(Cl)cc2c(c1)nc3c2CCCC3
OpenEye OEToolkits 1.7.6c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3
CACTVS 3.385OC(=O)c1cc2[nH]c3CCCCc3c2cc1Cl
Name:6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid
ChEMBL: CHEMBL1466999
ZINC: ZINC000000807911
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)(download the PDF file).
  • 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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