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BioLiP Library

PDB CCD ID: GVJ
Number of entries in BioLiP: 1
Chemical formula: C18 H15 N5
InChI: InChI=1S/C18H15N5/c19-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-17-18(22-10-20-16)23-11-21-17/h1-11,15H,19H2,(H,20,21,22,23)/t15-/m0/s1
InChIKey: CWHMAWBXRCDOEB-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c(c2ncnc2nc1)c3ccc(cc3)C(c4ccccc4)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(c2ccc(cc2)c3c4c([nH]cn4)ncn3)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@@H](c2ccc(cc2)c3c4c([nH]cn4)ncn3)N
CACTVS 3.341N[C@@H](c1ccccc1)c2ccc(cc2)c3ncnc4[nH]cnc34
CACTVS 3.341N[CH](c1ccccc1)c2ccc(cc2)c3ncnc4[nH]cnc34
Name:(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE
DrugBank: DB07855
ZINC: ZINC000014961021
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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