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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03636746

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.75
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.75
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.75
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.76
3MP3-METHYLPYRIDINEA1EUB0.73
3MP3-METHYLPYRIDINEA1BM60.73
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM		A,B2E940.71
PYF3-PYRIDINYLCARBINOLA,B1R160.74
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
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.73
NCANICOTINAMIDEA,B2E5D0.73
NCANICOTINAMIDEA,B,C,D2Z770.73
NCANICOTINAMIDEA,B1DMA0.73
NCANICOTINAMIDEA,B1ISM0.73
NCANICOTINAMIDEA,B1YC50.73
NCANICOTINAMIDEA2ZB70.73
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.73
NCANICOTINAMIDEA,B2QQG0.73
NCANICOTINAMIDEA2OTV0.73
NCANICOTINAMIDEA2QHF0.73
NCANICOTINAMIDEA,B,C,D2C8A0.73
NCANICOTINAMIDEA,B2HJH0.73
NCANICOTINAMIDEA2A150.73
NCANICOTINAMIDEA2R6V0.73
NCANICOTINAMIDEA,B1ISI0.73
NCANICOTINAMIDEA,D,E2R9J0.73
NCANICOTINAMIDEA2H4J0.73
NCANICOTINAMIDEA,B2OD90.73
NCANICOTINAMIDEA,B,C,D,E1YC20.73
NCANICOTINAMIDEA,B3DZG0.73
NCANICOTINAMIDEA1OJU0.73
A85N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDROXY-
4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-
2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-
5-PHENYL-PENTYL}-3-METHYL-2-(3-
METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-
BUTYRAMIDE		A,B1DIF0.71
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE		A,B2IGY0.72
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.87
N12N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE		H,P2ANK0.73
4FW4-FLUOROTRYPTOPHANEA1RM90.7
ISQISOQUINOLINEA1GDK0.71
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.79
FTRFLUOROTRYPTOPHANEA2JT80.7
FTRFLUOROTRYPTOPHANEA,B1NF00.7
FTRFLUOROTRYPTOPHANEA2JTZ0.7
FTRFLUOROTRYPTOPHANEA,B1I450.7
FTRFLUOROTRYPTOPHANEA,B2ZNX0.7
FTRFLUOROTRYPTOPHANEA,B1NEY0.7
FTRFLUOROTRYPTOPHANEA,B5FWG0.7
DTRD-TRYPTOPHANA,B,C,D2R3C0.72
DTRD-TRYPTOPHANA1XY80.72
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.72
DTRD-TRYPTOPHANA2V7K0.72
DTRD-TRYPTOPHANA,D1CZQ0.72
DTRD-TRYPTOPHANA1DFY0.72
DTRD-TRYPTOPHANA1XY50.72
DTRD-TRYPTOPHANA1NXN0.72
DTRD-TRYPTOPHANA1TKF0.72
DTRD-TRYPTOPHANA1YL90.72
DTRD-TRYPTOPHANA1XXZ0.72
DTRD-TRYPTOPHANA1XY40.72
DTRD-TRYPTOPHANA,D2Q3I0.72
DTRD-TRYPTOPHANA1QFB0.72
DTRD-TRYPTOPHANA1DFZ0.72
DTRD-TRYPTOPHANA1XY90.72
DTRD-TRYPTOPHANA1XY60.72
DTRD-TRYPTOPHANA2SOC0.72
DTRD-TRYPTOPHANA2JUE0.72
DTRD-TRYPTOPHANA1SOC0.72
DTRD-TRYPTOPHANA1YL80.72
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.72
DTRD-TRYPTOPHANA,B2Q330.72
DTRD-TRYPTOPHANA1DG00.72
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.72
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.71
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.71
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.7
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.73
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.73
MILMILRINONEA,B1TLM0.7
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM		A2HOP0.7
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YV50.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B1RQJ0.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YQ70.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YHL0.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A2QIS0.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B2O1O0.74
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.73
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
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.77
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.71
4IN4-AMINO-L-TRYPTOPHANA1OXF0.71
CDO2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-
3-YL)METHYLCARBAMOYL)-2H-PYRROL-
1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-
2-YLAMINO)ACETIC ACID		H2ANM0.74
2862-ethenyl-1-methylpyridiniumX2RC20.71
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.71
IOPINDOLYLPROPIONIC ACIDA2OLI0.71
IOPINDOLYLPROPIONIC ACIDA,B2AY50.71
MYTMETYRAPONEA1PHG0.76
MYTMETYRAPONEA1W0G0.76
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.7
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N		A1AU40.7
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,C1HSH0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B1SDU0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B,C,D2R5P0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		B1HSG0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B1SDV0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B2AVS0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B2AVO0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B1SDT0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B,D,E2AVV0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		B2B7Z0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		B1C6Y0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		B2BPX0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		A,B1K6C0.71
MK1N-[2(R)-HYDROXY-1(S)-INDANYL]-5-
[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-
HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE		B1SGU0.71
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.75
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.76
XN1N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-
4(3-PYRIDYLMETHYL)PIPERAZINO]-4-
HYDROXY-2-(1-PHENYLETHYL)-PENTANAMIDE		A,B1K6T0.71
4PPC,L1XKA0.77
4PPA,B,C,D1XKB0.77
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.74
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.74
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.71
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.77
NTMQUINOLINIC ACIDA3C2O0.74
NTMQUINOLINIC ACIDA,B1QAP0.74
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.74
NTMQUINOLINIC ACIDA,B,C2B7N0.74
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE		A2W090.7
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.72
PY7PYRIDIN-4-YLMETHANOLA2EUR0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.75
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.75
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.7
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.74
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.86
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE		A,B,C,D2BM20.71
NIONICOTINIC ACIDA1JHQ0.79
NIONICOTINIC ACIDA1L5L0.79
NIONICOTINIC ACIDA2F7F0.79
NIONICOTINIC ACIDA1L5K0.79
NIONICOTINIC ACIDA1JHY0.79
NIONICOTINIC ACIDA,B1FSL0.79
NIONICOTINIC ACIDA1L5M0.79
NIONICOTINIC ACIDA1LH60.79
NIONICOTINIC ACIDA1JHO0.79
NIONICOTINIC ACIDA3CI80.79
NIONICOTINIC ACIDA,B,C,D1ICU0.79
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.79
NIONICOTINIC ACIDA1JHA0.79
NIONICOTINIC ACIDA1JHV0.79
NIONICOTINIC ACIDA1L4N0.79
NIONICOTINIC ACIDA2LH60.79
NIONICOTINIC ACIDA1D0V0.79
NIONICOTINIC ACIDA,B,C,D1ICV0.79
NIONICOTINIC ACIDA,B1ICR0.79
NIONICOTINIC ACIDA1JHR0.79
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)		A2RAH0.71
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE		B2BPV0.75
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE		B2BPW0.75
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.74
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.77
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.73
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.75
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T		1UW60.78
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.78
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.78
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.72
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.84
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.74
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.7
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.72
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.71
NNRNicotinamide ribosideA2QT00.72
NNRNicotinamide ribosideA2QT10.72
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.71