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BioLiP

PDB CCD ID: UNN
Number of entries in BioLiP: 3
Chemical formula: C23 H19 F2 N3
InChI: InChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1
InChIKey: WVGZKPGUHOZIJQ-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F
ACDLabs 10.04Fc4cc1c(ncnc1NC(C)C(c2ccccc2)c3ccccc3)cc4F
CACTVS 3.341C[C@H](Nc1ncnc2cc(F)c(F)cc12)C(c3ccccc3)c4ccccc4
OpenEye OEToolkits 1.5.0C[C@@H](C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F
CACTVS 3.341C[CH](Nc1ncnc2cc(F)c(F)cc12)C(c3ccccc3)c4ccccc4
Name:(6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE
ChEMBL: CHEMBL42632
DrugBank: DB03678
ZINC: ZINC000012503826
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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