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BioLiP

PDB CCD ID: OTW
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3
InChI: InChI=1S/C10H11N3/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5H,11H2,1H3,(H2,12,13)
InChIKey: RTLBVOMPQYBAQP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1c(cc(c2cc(ccc12)N)C)N
OpenEye OEToolkits 1.7.6Cc1cc(nc2c1cc(cc2)N)N
CACTVS 3.385Cc1cc(N)nc2ccc(N)cc12
Name:4-methylquinoline-2,6-diamine
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).
  • 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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