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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02231538

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.77
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.7
HBAP-HYDROXYBENZALDEHYDEA1K030.7
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.7
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.7
HBAP-HYDROXYBENZALDEHYDEA2GQ90.7
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.7
HBAP-HYDROXYBENZALDEHYDEA1OYB0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.72
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.72
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.72
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.72
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.72
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.72
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.72
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.72
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.74
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
AC6P-HYDROXYACETOPHENONEA2GQ80.73
AC6P-HYDROXYACETOPHENONEX2O480.73
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.74
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.74
PHBP-HYDROXYBENZOIC ACIDA1CJ40.76
PHBP-HYDROXYBENZOIC ACIDA1DOB0.76
PHBP-HYDROXYBENZOIC ACIDA1PXB0.76
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.76
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.76
PHBP-HYDROXYBENZOIC ACIDA1IUV0.76
PHBP-HYDROXYBENZOIC ACIDA1PBE0.76
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.76
PHBP-HYDROXYBENZOIC ACIDA1PDH0.76
PHBP-HYDROXYBENZOIC ACIDB2BUW0.76
PHBP-HYDROXYBENZOIC ACIDA1CC40.76
PHBP-HYDROXYBENZOIC ACIDA1CC60.76
PHBP-HYDROXYBENZOIC ACIDA1IUW0.76
PHBP-HYDROXYBENZOIC ACIDA1FW90.76
PHBP-HYDROXYBENZOIC ACIDA1G810.76
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.76
PHBP-HYDROXYBENZOIC ACIDA1IUX0.76
PHBP-HYDROXYBENZOIC ACIDA1CJ30.76
PHBP-HYDROXYBENZOIC ACIDA1D7L0.76
PHBP-HYDROXYBENZOIC ACIDA2PHH0.76
PHBP-HYDROXYBENZOIC ACIDA1BGN0.76
PHBP-HYDROXYBENZOIC ACIDA1PXA0.76
PHBP-HYDROXYBENZOIC ACIDA1DOC0.76
PHBP-HYDROXYBENZOIC ACIDA1K0I0.76
PHBP-HYDROXYBENZOIC ACIDA1BKW0.76
PHBP-HYDROXYBENZOIC ACIDA1JD30.76
PHBP-HYDROXYBENZOIC ACIDA1PXC0.76
PHBP-HYDROXYBENZOIC ACIDA1TT80.76
PHBP-HYDROXYBENZOIC ACIDA1CJ20.76
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.76
PHBP-HYDROXYBENZOIC ACIDA1BF30.76
PHBP-HYDROXYBENZOIC ACIDB2BUR0.76
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.72
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.84
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.84
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.71
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.73
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.74
VXXVANILLATEA,B1WB60.75
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.7
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.7
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.74
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.74
SYRSYRINGATEA,B1WB50.72
PTRO-PHOSPHOTYROSINEP1AYC0.71
PTRO-PHOSPHOTYROSINEB1G1F0.71
PTRO-PHOSPHOTYROSINEA,C2CJM0.71
PTRO-PHOSPHOTYROSINEA2PVF0.71
PTRO-PHOSPHOTYROSINEA,B1KC20.71
PTRO-PHOSPHOTYROSINEA2CJZ0.71
PTRO-PHOSPHOTYROSINEA,B2HMH0.71
PTRO-PHOSPHOTYROSINEB1SHB0.71
PTRO-PHOSPHOTYROSINEA,B,C,D1K4S0.71
PTRO-PHOSPHOTYROSINEA,B3DK70.71
PTRO-PHOSPHOTYROSINEB,D,P2HWL0.71
PTRO-PHOSPHOTYROSINEA,B2W1I0.71
PTRO-PHOSPHOTYROSINEA,B1P7D0.71
PTRO-PHOSPHOTYROSINEE,I1ZFP0.71
PTRO-PHOSPHOTYROSINEA,B3BU60.71
PTRO-PHOSPHOTYROSINEC,D1A070.71
PTRO-PHOSPHOTYROSINEA3BU30.71
PTRO-PHOSPHOTYROSINEA,B2V7A0.71
PTRO-PHOSPHOTYROSINEB1CSY0.71
PTRO-PHOSPHOTYROSINEA3LCK0.71
PTRO-PHOSPHOTYROSINEI1TZE0.71
PTRO-PHOSPHOTYROSINEB1I3Z0.71
PTRO-PHOSPHOTYROSINEA,G3CI50.71
PTRO-PHOSPHOTYROSINEA,B1YVH0.71
PTRO-PHOSPHOTYROSINEA,B2HCK0.71
PTRO-PHOSPHOTYROSINEA3BUN0.71
PTRO-PHOSPHOTYROSINEA,B2B7A0.71
PTRO-PHOSPHOTYROSINEA,B1GNG0.71
PTRO-PHOSPHOTYROSINEA,B2OQ10.71
PTRO-PHOSPHOTYROSINEA1IR30.71
PTRO-PHOSPHOTYROSINEB1CSZ0.71
PTRO-PHOSPHOTYROSINEB1PTT0.71
PTRO-PHOSPHOTYROSINEB1KA60.71
PTRO-PHOSPHOTYROSINEC,D1A1C0.71
PTRO-PHOSPHOTYROSINEB1LKL0.71
PTRO-PHOSPHOTYROSINEA1UUS0.71
PTRO-PHOSPHOTYROSINEA,B1AD50.71
PTRO-PHOSPHOTYROSINEA1O9U0.71
PTRO-PHOSPHOTYROSINEA,B3DK60.71
PTRO-PHOSPHOTYROSINEA,B2I6O0.71
PTRO-PHOSPHOTYROSINEA1PTY0.71
PTRO-PHOSPHOTYROSINEA,B1TRN0.71
PTRO-PHOSPHOTYROSINEB1M0V0.71
PTRO-PHOSPHOTYROSINEB2G350.71
PTRO-PHOSPHOTYROSINEA,B3D420.71
PTRO-PHOSPHOTYROSINEA,B2C0T0.71
PTRO-PHOSPHOTYROSINEA,B2CBL0.71
PTRO-PHOSPHOTYROSINEA1KSW0.71
PTRO-PHOSPHOTYROSINEA,B2OW30.71
PTRO-PHOSPHOTYROSINEB1PTU0.71
PTRO-PHOSPHOTYROSINEA2ZM10.71
PTRO-PHOSPHOTYROSINEB,C2H5K0.71
PTRO-PHOSPHOTYROSINEA,B1PKG0.71
PTRO-PHOSPHOTYROSINEA3C7Q0.71
PTRO-PHOSPHOTYROSINEB2H7D0.71
PTRO-PHOSPHOTYROSINEP,Q1AYA0.71
PTRO-PHOSPHOTYROSINEA2ZYB0.71
PTRO-PHOSPHOTYROSINEL,M2CI90.71
PTRO-PHOSPHOTYROSINEI1BMB0.71
PTRO-PHOSPHOTYROSINEP1AOT0.71
PTRO-PHOSPHOTYROSINEA2ERK0.71
PTRO-PHOSPHOTYROSINEB2IUH0.71
PTRO-PHOSPHOTYROSINEB1G1H0.71
PTRO-PHOSPHOTYROSINEA,B3FUP0.71
PTRO-PHOSPHOTYROSINEL1JYR0.71
PTRO-PHOSPHOTYROSINEA3CLY0.71
PTRO-PHOSPHOTYROSINEA2AUH0.71
PTRO-PHOSPHOTYROSINEA,B,C,D,E,F,
G,H
1R1P0.71
PTRO-PHOSPHOTYROSINEA,C,D1T8I0.71
PTRO-PHOSPHOTYROSINEX2H7F0.71
PTRO-PHOSPHOTYROSINEA2ZM40.71
PTRO-PHOSPHOTYROSINEG,H,I,J,K,L2HDX0.71
PTRO-PHOSPHOTYROSINEA1QPJ0.71
PTRO-PHOSPHOTYROSINEA,B2EU00.71
PTRO-PHOSPHOTYROSINEA,C1NZV0.71
PTRO-PHOSPHOTYROSINEA,B,C,D2B4S0.71
PTRO-PHOSPHOTYROSINEB2PLD0.71
PTRO-PHOSPHOTYROSINEC,D,E,F1XXP0.71
PTRO-PHOSPHOTYROSINEA2QOQ0.71
PTRO-PHOSPHOTYROSINEA1HCT0.71
PTRO-PHOSPHOTYROSINEA,B,C,D2ZM30.71
PTRO-PHOSPHOTYROSINEB1LKK0.71
PTRO-PHOSPHOTYROSINEA,B,C,D1YVL0.71
PTRO-PHOSPHOTYROSINEB2Z8P0.71
PTRO-PHOSPHOTYROSINEA1UUR0.71
PTRO-PHOSPHOTYROSINEB,D,F,H,J,L1A810.71
PTRO-PHOSPHOTYROSINEB1LCK0.71
PTRO-PHOSPHOTYROSINEA2QO70.71
PTRO-PHOSPHOTYROSINEB1FPR0.71
PTRO-PHOSPHOTYROSINEA3BUM0.71
PTRO-PHOSPHOTYROSINEB2FCI0.71
PTRO-PHOSPHOTYROSINEA2QYQ0.71
PTRO-PHOSPHOTYROSINEA3BYM0.71
PTRO-PHOSPHOTYROSINEA2OH40.71
PTRO-PHOSPHOTYROSINEB1G1G0.71
PTRO-PHOSPHOTYROSINEB1SHC0.71
PTRO-PHOSPHOTYROSINEA1BF50.71
PTRO-PHOSPHOTYROSINEH,L1JYQ0.71
PTRO-PHOSPHOTYROSINEA2Z8C0.71
PTRO-PHOSPHOTYROSINEA,B1CM80.71
PTRO-PHOSPHOTYROSINEB,D3DA90.71
PTRO-PHOSPHOTYROSINEA,L2CIA0.71
PTRO-PHOSPHOTYROSINEX2DQ70.71
PTRO-PHOSPHOTYROSINEA,P2VIF0.71
PTRO-PHOSPHOTYROSINEB1F1W0.71
PTRO-PHOSPHOTYROSINED,E,F1SPS0.71
PTRO-PHOSPHOTYROSINEA,B2C0I0.71
PTRO-PHOSPHOTYROSINEB1OO40.71
PTRO-PHOSPHOTYROSINEA,C,D1A310.71
PTRO-PHOSPHOTYROSINEA,B,C,D,E,F,
G,H
1R1S0.71
PTRO-PHOSPHOTYROSINEA,B,C,D1NH30.71
PTRO-PHOSPHOTYROSINEB1TCE0.71
PTRO-PHOSPHOTYROSINEA,B2ETZ0.71
PTRO-PHOSPHOTYROSINEC,D1A1B0.71
PTRO-PHOSPHOTYROSINEA,B1FBV0.71
PTRO-PHOSPHOTYROSINEA1QCF0.71
PTRO-PHOSPHOTYROSINEA,B3F880.71
PTRO-PHOSPHOTYROSINEA2PTK0.71
PTRO-PHOSPHOTYROSINEA1QPD0.71
PTRO-PHOSPHOTYROSINEA,B1RRJ0.71
PTRO-PHOSPHOTYROSINEA,C,D1K4T0.71
PTRO-PHOSPHOTYROSINEA1YWN0.71
PTRO-PHOSPHOTYROSINEA,B,C,D1R1Q0.71
PTRO-PHOSPHOTYROSINEA,B,E,F1RQQ0.71
PTRO-PHOSPHOTYROSINEA3EYH0.71
PTRO-PHOSPHOTYROSINEA,B,C,D2VX30.71
PTRO-PHOSPHOTYROSINEA,B1YRK0.71
PTRO-PHOSPHOTYROSINEP1AYB0.71
PTRO-PHOSPHOTYROSINEC,D1D4W0.71
PTRO-PHOSPHOTYROSINEA1YVJ0.71
PTRO-PHOSPHOTYROSINEA,B2GQG0.71
PTRO-PHOSPHOTYROSINEA1PTV0.71
PTRO-PHOSPHOTYROSINEB1FU50.71
PTRO-PHOSPHOTYROSINEA1BG10.71
PTRO-PHOSPHOTYROSINEA2IVT0.71
PTRO-PHOSPHOTYROSINEP1J4K0.71
PTRO-PHOSPHOTYROSINEP1AOU0.71
PTRO-PHOSPHOTYROSINEA,C,D1TL80.71
PTRO-PHOSPHOTYROSINEA2DVJ0.71
PTRO-PHOSPHOTYROSINEA,B2J170.71
PTRO-PHOSPHOTYROSINEA,C3BUW0.71
PTRO-PHOSPHOTYROSINEB2PLE0.71
PTRO-PHOSPHOTYROSINEB2BBU0.71
PTRO-PHOSPHOTYROSINEC,D1M6X0.71
PTRO-PHOSPHOTYROSINEA,C1RR80.71
PTRO-PHOSPHOTYROSINEA2J0L0.71
PTRO-PHOSPHOTYROSINEB1JU50.71
PTRO-PHOSPHOTYROSINEA2H8H0.71
PTRO-PHOSPHOTYROSINEB2NMB0.71
PTRO-PHOSPHOTYROSINEC,D,H1P4E0.71
PTRO-PHOSPHOTYROSINEA,B1Z1B0.71
PTRO-PHOSPHOTYROSINEA3BU50.71
PTRO-PHOSPHOTYROSINEI1QG10.71
PTRO-PHOSPHOTYROSINEA,C1SC70.71
PTRO-PHOSPHOTYROSINEA3E620.71
PTRO-PHOSPHOTYROSINEA,C3BUX0.71
PTRO-PHOSPHOTYROSINEB2DXP0.71
PTRO-PHOSPHOTYROSINEB2Q8Y0.71
PTRO-PHOSPHOTYROSINEA,C1NZL0.71
PTRO-PHOSPHOTYROSINEA,B,C,D1YGU0.71
PTRO-PHOSPHOTYROSINEA2IVU0.71
PTRO-PHOSPHOTYROSINEA,B1U540.71
PTRO-PHOSPHOTYROSINEA,B,C,D1P130.71
PTRO-PHOSPHOTYROSINEI,J,K,L1FYR0.71
PTRO-PHOSPHOTYROSINEA,C,D1SEU0.71
PTRO-PHOSPHOTYROSINEB1SHD0.71
PTRO-PHOSPHOTYROSINEA,B3CD30.71
PTRO-PHOSPHOTYROSINEA2QOB0.71
PTRO-PHOSPHOTYROSINEB2H7E0.71
PTRO-PHOSPHOTYROSINEB1PIC0.71
PTRO-PHOSPHOTYROSINEA3EYG0.71
PTRO-PHOSPHOTYROSINEA1FMK0.71
PTRO-PHOSPHOTYROSINEA3E630.71
PTRO-PHOSPHOTYROSINEC,D1A1E0.71
PTRO-PHOSPHOTYROSINEA1QPC0.71
PTRO-PHOSPHOTYROSINEP1FHR0.71
PTRO-PHOSPHOTYROSINEB1H9O0.71
PTRO-PHOSPHOTYROSINEA,B1GAG0.71
PTRO-PHOSPHOTYROSINEB2YU70.71
PTRO-PHOSPHOTYROSINEA1HCS0.71
PTRO-PHOSPHOTYROSINEA,B,C,D3DQW0.71
PTRO-PHOSPHOTYROSINEA3BYO0.71
PTRO-PHOSPHOTYROSINEA,B1EEO0.71
PTRO-PHOSPHOTYROSINEC,D2IUI0.71
PTRO-PHOSPHOTYROSINEA,B,C,D1YGR0.71
PTRO-PHOSPHOTYROSINEB2RMX0.71
PTRO-PHOSPHOTYROSINEA,B3F7Z0.71
PTRO-PHOSPHOTYROSINEB1LCJ0.71
PTRO-PHOSPHOTYROSINEA3E640.71
PTRO-PHOSPHOTYROSINEL1BM20.71
PTRO-PHOSPHOTYROSINEB2ROR0.71
PTRO-PHOSPHOTYROSINEA,C3EB00.71
PTRO-PHOSPHOTYROSINEA2SRC0.71
PTRO-PHOSPHOTYROSINEA,B1EEN0.71
PTRO-PHOSPHOTYROSINEB1SHA0.71
PTRO-PHOSPHOTYROSINEA,B1YI60.71
PTRO-PHOSPHOTYROSINEP1K2M0.71
PTRO-PHOSPHOTYROSINEA2IVV0.71
PTRO-PHOSPHOTYROSINEB1IRS0.71
PTRO-PHOSPHOTYROSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,R,S,T
3F5P0.71
PTRO-PHOSPHOTYROSINEA,B2ZOQ0.71
PTRO-PHOSPHOTYROSINEA,C3BUO0.71
PTRO-PHOSPHOTYROSINEA2QON0.71
PTRO-PHOSPHOTYROSINEA,B3FXX0.71
PTRO-PHOSPHOTYROSINEA1QPE0.71
PTRO-PHOSPHOTYROSINEB1MW40.71
PTRO-PHOSPHOTYROSINED1J4X0.71
PTRO-PHOSPHOTYROSINEA1K3A0.71
PTRO-PHOSPHOTYROSINEA,B2C0O0.71
PTRO-PHOSPHOTYROSINEA,B,C,D,E,F,
I,J,K,L,M,N
1X270.71
PTRO-PHOSPHOTYROSINEA,B3D440.71
PTRO-PHOSPHOTYROSINEA,B1Z190.71
PTRO-PHOSPHOTYROSINEA2OFU0.71
ANN4-METHOXYBENZOIC ACIDA2B960.82
ANN4-METHOXYBENZOIC ACIDA2QUE0.82
ANN4-METHOXYBENZOIC ACIDA1SV30.82
ANN4-METHOXYBENZOIC ACIDA1O2E0.82
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.82
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.73
PTMALPHA-METHYL-O-PHOSPHOTYROSINEH,L1JYQ0.71
AI73-(heptyloxy)benzoic acidA,B2O3Z0.73
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLM0.7
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLF0.7
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLE0.7
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.71
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.75
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71