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BioLiP

PDB CCD ID: 1U7
Number of entries in BioLiP: 1
Chemical formula: C15 H21 N O
InChI: InChI=1S/C15H21NO/c17-15(12-6-2-1-3-7-12)10-11-16-14-9-5-4-8-13(14)15/h1-3,6-7,13-14,16-17H,4-5,8-11H2/t13-,14-,15-/m0/s1
InChIKey: JENIXYWBDVSBMO-KKUMJFAQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)C2(CCNC3C2CCCC3)O
CACTVS 3.370O[C]1(CCN[CH]2CCCC[CH]12)c3ccccc3
CACTVS 3.370O[C@@]1(CCN[C@H]2CCCC[C@H]12)c3ccccc3
ACDLabs 12.01OC2(c1ccccc1)C3C(NCC2)CCCC3
OpenEye OEToolkits 1.7.6c1ccc(cc1)[C@]2(CCN[C@@H]3[C@@H]2CCCC3)O
Name:(4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol
ZINC: ZINC000003684328
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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