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BioLiP

PDB CCD ID: N00
Number of entries in BioLiP: 1
Chemical formula: C16 H14 Cl N O2
InChI: InChI=1S/C16H14ClNO2/c1-8-11(9(2)16(19)20)4-5-12-13-7-10(17)3-6-14(13)18-15(8)12/h3-7,9,18H,1-2H3,(H,19,20)/t9-/m1/s1
InChIKey: ISYVWNKBJIDJSU-SECBINFHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(C)c1ccc2c3cc(Cl)ccc3[NH]c2c1C
CACTVS 3.385C[C@@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1C
OpenEye OEToolkits 2.0.7Cc1c(ccc2c1[nH]c3c2cc(cc3)Cl)C(C)C(=O)O
OpenEye OEToolkits 2.0.7Cc1c(ccc2c1[nH]c3c2cc(cc3)Cl)[C@@H](C)C(=O)O
CACTVS 3.385C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23)c1C
Name:(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic 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).
  • 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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