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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00356054

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.76
NCANICOTINAMIDEA,B2E5D0.75
NCANICOTINAMIDEA,B,C,D2Z770.75
NCANICOTINAMIDEA,B1DMA0.75
NCANICOTINAMIDEA,B1ISM0.75
NCANICOTINAMIDEA,B1YC50.75
NCANICOTINAMIDEA2ZB70.75
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.75
NCANICOTINAMIDEA,B2QQG0.75
NCANICOTINAMIDEA2OTV0.75
NCANICOTINAMIDEA2QHF0.75
NCANICOTINAMIDEA,B,C,D2C8A0.75
NCANICOTINAMIDEA,B2HJH0.75
NCANICOTINAMIDEA2A150.75
NCANICOTINAMIDEA2R6V0.75
NCANICOTINAMIDEA,B1ISI0.75
NCANICOTINAMIDEA,D,E2R9J0.75
NCANICOTINAMIDEA2H4J0.75
NCANICOTINAMIDEA,B2OD90.75
NCANICOTINAMIDEA,B,C,D,E1YC20.75
NCANICOTINAMIDEA,B3DZG0.75
NCANICOTINAMIDEA1OJU0.75
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.71
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.74
DZF5-DEAZAFOLIC ACIDA,B2DHF0.71
DZF5-DEAZAFOLIC ACIDA,B1DYH0.71
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.71
N12N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE		H,P2ANK0.75
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.76
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.71
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.76
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.76
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.71
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER		B2AQU0.72
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER		A2FXD0.72
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER		A2O4K0.72
DR7(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-
8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-
6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-
2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER		A,B2FXE0.72
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.71
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.77
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.72
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.72
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.72
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.72
162(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID		D,H1NZQ0.72
163(2-{2-[(5-CARBAMIMIDOYL-1-METHYL-
1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-
PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-
2-OXO-ETHYLAMINO)-ACETIC ACID		D,H1O0D0.72
TITN-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-
3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-
L-VALYL]AMINO}PENTANOYL)-L-ALANYL-
L-LEUCINAMIDE		A,B1W6H0.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.72
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.72
CDO2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-
3-YL)METHYLCARBAMOYL)-2H-PYRROL-
1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-
2-YLAMINO)ACETIC ACID		H2ANM0.75
NTMQUINOLINIC ACIDA3C2O0.71
NTMQUINOLINIC ACIDA,B1QAP0.71
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.71
NTMQUINOLINIC ACIDA,B,C2B7N0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E7S0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E7M0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B,C,D3E7G0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.75
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.77
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.77
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.77
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QSZ0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1TA80.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1HYB0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAA0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA90.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUP0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUS0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1Y1P0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C,D,E,F2GVG0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA80.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAB0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZK0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C1GZU0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2H3D0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2G960.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QG60.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1ISJ0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZJ0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2HCT0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.71
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.78
GGWmethyl [(1S,4S,5S,7S,10S)-4-benzyl-
1,10-di-tert-butyl-5-hydroxy-2,9,12-
trioxo-7-(4-pyridin-2-ylbenzyl)-
13-oxa-3,8,11-triazatetradec-1-
yl]carbamate		H3GGA0.74
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE		B2BPV0.7
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE		B2BPW0.7
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.71
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.77
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.77
MILMILRINONEA,B1TLM0.76
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.72
NNRNicotinamide ribosideA2QT00.74
NNRNicotinamide ribosideA2QT10.74
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.7
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.7
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.73
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.74
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE		2,H,K,N,V,Y2F160.7
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.73
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID		B2I030.72
OPN{(2-AMINO-ETHYL)-[2-(2-OXO-1,2-
DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-
ACETYL]-AMINO}-ACETIC ACID		A,B,C,D1HZS0.76
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.71
NIONICOTINIC ACIDA1JHQ0.71
NIONICOTINIC ACIDA1L5L0.71
NIONICOTINIC ACIDA2F7F0.71
NIONICOTINIC ACIDA1L5K0.71
NIONICOTINIC ACIDA1JHY0.71
NIONICOTINIC ACIDA,B1FSL0.71
NIONICOTINIC ACIDA1L5M0.71
NIONICOTINIC ACIDA1LH60.71
NIONICOTINIC ACIDA1JHO0.71
NIONICOTINIC ACIDA3CI80.71
NIONICOTINIC ACIDA,B,C,D1ICU0.71
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.71
NIONICOTINIC ACIDA1JHA0.71
NIONICOTINIC ACIDA1JHV0.71
NIONICOTINIC ACIDA1L4N0.71
NIONICOTINIC ACIDA2LH60.71
NIONICOTINIC ACIDA1D0V0.71
NIONICOTINIC ACIDA,B,C,D1ICV0.71
NIONICOTINIC ACIDA,B1ICR0.71
NIONICOTINIC ACIDA1JHR0.71
NA3(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-
4-OXOBUTANOIC ACID		A1RE10.79
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.73
LIQN-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-
2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE		A2HM10.7