SEQ2FUN

BioLiP

PDB CCD ID: 2C9
Number of entries in BioLiP: 1
Chemical formula: C7 H10 N2
InChI: InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
InChIKey: AXNUJYHFQHQZBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Nc1c(cccc1N)C
CACTVS 3.385Cc1cccc(N)c1N
OpenEye OEToolkits 1.7.6Cc1cccc(c1N)N
Name:3-methylbenzene-1,2-diamine
ChEMBL: CHEMBL3183504
ZINC: ZINC000000153100
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).