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BioLiP

PDB CCD ID: C8Z
Number of entries in BioLiP: 2
Chemical formula: C17 H17 N3
InChI: InChI=1S/C17H17N3/c1-2-5-13(6-3-1)15-7-4-12-20(15)16-9-11-19-17-14(16)8-10-18-17/h1-3,5-6,8-11,15H,4,7,12H2,(H,18,19)/t15-/m1/s1
InChIKey: GUMMAYIOLPYJKE-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)C2CCCN2c3ccnc4c3cc[nH]4
CACTVS 3.385C1C[CH](N(C1)c2ccnc3[nH]ccc23)c4ccccc4
OpenEye OEToolkits 2.0.6c1ccc(cc1)[C@H]2CCCN2c3ccnc4c3cc[nH]4
CACTVS 3.385C1C[C@@H](N(C1)c2ccnc3[nH]ccc23)c4ccccc4
Name:4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine
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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