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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02376572

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.74
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.72
DHCCAFFEIC ACIDA1KOU0.72
AC6P-HYDROXYACETOPHENONEA2GQ80.75
AC6P-HYDROXYACETOPHENONEX2O480.75
VXXVANILLATEA,B1WB60.72
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.73
SYRSYRINGATEA,B1WB50.71
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.74
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.74
34D3,5-DIHYDROXYBENZOATEA,B2BX70.72
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.8
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.8
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.75
3HB3-HYDROXYBENZOIC ACIDA2DKH0.75
PHBP-HYDROXYBENZOIC ACIDA1CJ40.75
PHBP-HYDROXYBENZOIC ACIDA1DOB0.75
PHBP-HYDROXYBENZOIC ACIDA1PXB0.75
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.75
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.75
PHBP-HYDROXYBENZOIC ACIDA1IUV0.75
PHBP-HYDROXYBENZOIC ACIDA1PBE0.75
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.75
PHBP-HYDROXYBENZOIC ACIDA1PDH0.75
PHBP-HYDROXYBENZOIC ACIDB2BUW0.75
PHBP-HYDROXYBENZOIC ACIDA1CC40.75
PHBP-HYDROXYBENZOIC ACIDA1CC60.75
PHBP-HYDROXYBENZOIC ACIDA1IUW0.75
PHBP-HYDROXYBENZOIC ACIDA1FW90.75
PHBP-HYDROXYBENZOIC ACIDA1G810.75
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.75
PHBP-HYDROXYBENZOIC ACIDA1IUX0.75
PHBP-HYDROXYBENZOIC ACIDA1CJ30.75
PHBP-HYDROXYBENZOIC ACIDA1D7L0.75
PHBP-HYDROXYBENZOIC ACIDA2PHH0.75
PHBP-HYDROXYBENZOIC ACIDA1BGN0.75
PHBP-HYDROXYBENZOIC ACIDA1PXA0.75
PHBP-HYDROXYBENZOIC ACIDA1DOC0.75
PHBP-HYDROXYBENZOIC ACIDA1K0I0.75
PHBP-HYDROXYBENZOIC ACIDA1BKW0.75
PHBP-HYDROXYBENZOIC ACIDA1JD30.75
PHBP-HYDROXYBENZOIC ACIDA1PXC0.75
PHBP-HYDROXYBENZOIC ACIDA1TT80.75
PHBP-HYDROXYBENZOIC ACIDA1CJ20.75
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.75
PHBP-HYDROXYBENZOIC ACIDA1BF30.75
PHBP-HYDROXYBENZOIC ACIDB2BUR0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.75
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.75
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.83
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.71
MCT4-METHYLCATECHOLA1L4G0.7
MCT4-METHYLCATECHOLA2EHZ0.7
MCT4-METHYLCATECHOLA,B1DMH0.7
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.75
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.7
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.71
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.8
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.8
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.8
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.8
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.8
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.8
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.8
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.8
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.8
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.8
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.8
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.8
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.73
HBAP-HYDROXYBENZALDEHYDEA1K030.82
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.82
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.82
HBAP-HYDROXYBENZALDEHYDEA2GQ90.82
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.82
HBAP-HYDROXYBENZALDEHYDEA1OYB0.82