SEQ2FUN

BioLiP

PDB CCD ID: 71K
Number of entries in BioLiP: 1
Chemical formula: C7 H10 N2
InChI: InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3
InChIKey: RLYCRLGLCUXUPO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1c(N)cccc1N
OpenEye OEToolkits 2.0.5Cc1c(cccc1N)N
ACDLabs 12.01c1ccc(c(c1N)C)N
Name:2-methylbenzene-1,3-diamine
ChEMBL: CHEMBL1489438
ZINC: ZINC000000388289
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).