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BioLiP

PDB CCD ID: W2G
Number of entries in BioLiP: 2
Chemical formula: C10 H12 O2 S
InChI: InChI=1S/C10H12O2S/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H,11,12)/t8-,9-/m1/s1
InChIKey: GTNCFHPRVUWUBC-RKDXNWHRSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C2C(c1ccsc1)C(C(O)=O)CC2
OpenEye OEToolkits 2.0.7c1cscc1C2CCCC2C(=O)O
OpenEye OEToolkits 2.0.7c1cscc1[C@H]2CCC[C@H]2C(=O)O
CACTVS 3.385OC(=O)[CH]1CCC[CH]1c2cscc2
CACTVS 3.385OC(=O)[C@@H]1CCC[C@@H]1c2cscc2
Name:(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid
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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