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BioLiP

PDB CCD ID: 2CQ
Number of entries in BioLiP: 2
Chemical formula: C7 H9 Cl N2
InChI: InChI=1S/C7H9ClN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,9-10H2,1H3
InChIKey: HOFKXNBVTNUDSH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc(c(cc1Cl)N)N
CACTVS 3.385Cc1cc(N)c(N)cc1Cl
ACDLabs 12.01Clc1cc(c(N)cc1C)N
Name:4-chloro-5-methylbenzene-1,2-diamine
ChEMBL: CHEMBL3237625
ZINC: ZINC000000153342
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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