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BioLiP Library

PDB CCD ID: BNP
Number of entries in BioLiP: 0
Chemical formula: C32 H35 N O3
InChI: InChI=1S/C32H35NO3/c1-2-7-25(8-3-1)23-34-19-6-20-35-30-15-13-28(14-16-30)31-17-18-33-22-32(31)36-24-26-11-12-27-9-4-5-10-29(27)21-26/h1-5,7-16,21,31-33H,6,17-20,22-24H2/t31-,32+/m1/s1
InChIKey: SBQHXMHGXWOGFR-ZWXJPIIXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)COCCCOc2ccc(cc2)C3CCNCC3OCc4ccc5ccccc5c4
CACTVS 3.341C(COCc1ccccc1)COc2ccc(cc2)[CH]3CCNC[CH]3OCc4ccc5ccccc5c4
OpenEye OEToolkits 1.5.0c1ccc(cc1)COCCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc5ccccc5c4
CACTVS 3.341C(COCc1ccccc1)COc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc5ccccc5c4
ACDLabs 10.04O(Cc2cc1ccccc1cc2)C5C(c4ccc(OCCCOCc3ccccc3)cc4)CCNC5
Name:(3R,4R)-4-{4-[3-(BENZYLOXY)PROPOXY]PHENYL}-3-(2-NAPHTHYLMETHOXY)PIPERIDINE
ChEMBL: CHEMBL31466
ZINC: ZINC000003951355
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)(download the PDF file).
  • 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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