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BioLiP

PDB CCD ID: H4A
Number of entries in BioLiP: 1
Chemical formula: C15 H20 N2 O
InChI: InChI=1S/C15H20N2O/c18-14-7-12(10-4-2-1-3-5-10)13-6-11-8-16-9-15(11,14)17-13/h1-5,11-14,16-18H,6-9H2/t11-,12-,13-,14-,15+/m1/s1
InChIKey: WNBPFOXFPIFLPO-RYPNDVFKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)C2CC(C34CNCC3CC2N4)O
ACDLabs 12.01N1CC3C4(C1)C(O)CC(c2ccccc2)C(C3)N4
OpenEye OEToolkits 2.0.6c1ccc(cc1)[C@H]2C[C@H]([C@]34CNC[C@H]3C[C@H]2N4)O
CACTVS 3.385O[C@@H]1C[C@@H]([C@H]2C[C@@H]3CNC[C@@]13N2)c4ccccc4
CACTVS 3.385O[CH]1C[CH]([CH]2C[CH]3CNC[C]13N2)c4ccccc4
Name:(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol
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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