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BioLiP

PDB CCD ID: VI0
Number of entries in BioLiP: 1
Chemical formula: C18 H16 N4
InChI: InChI=1S/C18H16N4/c19-18-20-11-14-10-13-8-4-5-9-15(13)16(21-17(14)22-18)12-6-2-1-3-7-12/h1-9,11,16H,10H2,(H3,19,20,21,22)/t16-/m0/s1
InChIKey: CBDFYHHMMDZBDU-INIZCTEOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)[C@H]2c3ccccc3Cc4cnc(nc4N2)N
CACTVS 3.385Nc1ncc2Cc3ccccc3[CH](Nc2n1)c4ccccc4
ACDLabs 12.01Nc1nc2NC(c3ccccc3Cc2cn1)c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2c3ccccc3Cc4cnc(nc4N2)N
CACTVS 3.385Nc1ncc2Cc3ccccc3[C@@H](Nc2n1)c4ccccc4
Name:(10S)-10-phenyl-10,11-dihydro-5H-pyrimido[4,5-c][2]benzazepin-2-amine
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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