SEQ2FUN

BioLiP

PDB CCD ID: HBC
Number of entries in BioLiP: 2
Chemical formula: C20 H21 N O
InChI: InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1
InChIKey: XJQDTOANLAPEIM-JRBPQWBISA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c1ccccc1)C4(N)C2CCC(C2)C4c3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2C3CCC(C3)C2(C(=O)c4ccccc4)N
CACTVS 3.341N[C]1([CH]2CC[CH](C2)[CH]1c3ccccc3)C(=O)c4ccccc4
CACTVS 3.341N[C@@]1([C@@H]2CC[C@@H](C2)[C@H]1c3ccccc3)C(=O)c4ccccc4
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@@H]2[C@H]3CC[C@H](C3)[C@@]2(C(=O)c4ccccc4)N
Name:(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE;
BICYCLO[2.2.1]HEPTANE
DrugBank: DB07883
ZINC: ZINC000006581971
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).