SEQ2FUN

BioLiP

PDB CCD ID: 9AY
Number of entries in BioLiP: 1
Chemical formula: C7 H10 N2
InChI: InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
InChIKey: DGRGLKZMKWPMOH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(N)c(N)c1
ACDLabs 12.01c1cc(C)cc(c1N)N
OpenEye OEToolkits 2.0.6Cc1ccc(c(c1)N)N
Name:4-methylbenzene-1,2-diamine
ChEMBL: CHEMBL1319452
ZINC: ZINC000000331686
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).