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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP Library

PDB CCD ID: BGQ
Number of entries in BioLiP: 4
Chemical formula: C4 H9 O3
InChI: InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m1/s1
InChIKey: ARXKVVRQIIOZGF-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[O]C[CH](O)CCO
ACDLabs 12.01OCC(O)CCO
CACTVS 3.385[O]C[C@H](O)CCO
OpenEye OEToolkits 1.7.6C(CO)C(C[O])O
OpenEye OEToolkits 1.7.6C(CO)[C@H](C[O])O
Name:2-HYDROXY BUTANE-1,4-DIOL
ZINC: ZINC000001690069

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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