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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00349184

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.71
PY7PYRIDIN-4-YLMETHANOLA2EUR0.72
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C060.7
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C0A0.7
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.71
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine		A2RA70.71
A1T5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-
4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-
4-YL]PYRIDINE-2-CARBOXAMIDE		A2IGX0.74
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide		A3HNG0.71
D4GA,B,C,D2FDY0.75
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.75
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.72
ISQISOQUINOLINEA1GDK0.76
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNF0.8
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2H9V0.8
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A,B2ETR0.8
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A2GNJ0.8
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE		A1Q8T0.8
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E7S0.75
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B3E7M0.75
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE		A,B,C,D3E7G0.75
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.76
XMJ4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE		A1IQL0.73
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone		A,B,D,E3CH60.73
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione		A3FPM0.74
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE		A,B,C,D2BM20.78
CDO2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-
3-YL)METHYLCARBAMOYL)-2H-PYRROL-
1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-
2-YLAMINO)ACETIC ACID		H2ANM0.73
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEY0.8
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM		A,B2JEZ0.8
BRT5-BROMONICOTINAMIDEA,B1GXZ0.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.72
APY2-AMINOMETHYL-PYRIDINEI1IVP0.72
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine		A2RIP0.71
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE		2,H,K,N,V,Y2F160.71
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.85
MYTMETYRAPONEA1PHG0.79
MYTMETYRAPONEA1W0G0.79
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.81
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide		A3DKO0.71
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUR0.71
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.73
2862-ethenyl-1-methylpyridiniumX2RC20.76
N12N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE		H,P2ANK0.72
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.83
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.83
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.72
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.8
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		1UW60.81
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.81
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.81
1SQISOQUINOLIN-1-AMINEA2OHK0.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YV50.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B1RQJ0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YQ70.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YHL0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A2QIS0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B2O1O0.72
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE		A,B2IGY0.79
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.7
CDB2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-
1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-
METHYL-6-PYRIDINYL)METHYL]ACETAMIDE		B,C1MU80.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.82
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.82
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.82
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.82
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.82
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.82
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.72
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.78
NTNISONICOTINAMIDINEA7ADH0.77
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE		X2P3G0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
CC3N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE		A2NP80.71
NCANICOTINAMIDEA,B2E5D0.8
NCANICOTINAMIDEA,B,C,D2Z770.8
NCANICOTINAMIDEA,B1DMA0.8
NCANICOTINAMIDEA,B1ISM0.8
NCANICOTINAMIDEA,B1YC50.8
NCANICOTINAMIDEA2ZB70.8
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.8
NCANICOTINAMIDEA,B2QQG0.8
NCANICOTINAMIDEA2OTV0.8
NCANICOTINAMIDEA2QHF0.8
NCANICOTINAMIDEA,B,C,D2C8A0.8
NCANICOTINAMIDEA,B2HJH0.8
NCANICOTINAMIDEA2A150.8
NCANICOTINAMIDEA2R6V0.8
NCANICOTINAMIDEA,B1ISI0.8
NCANICOTINAMIDEA,D,E2R9J0.8
NCANICOTINAMIDEA2H4J0.8
NCANICOTINAMIDEA,B2OD90.8
NCANICOTINAMIDEA,B,C,D,E1YC20.8
NCANICOTINAMIDEA,B3DZG0.8
NCANICOTINAMIDEA1OJU0.8
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHQ0.8
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2WHP0.8
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM		A,B2GYU0.8
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE		A2BTR0.78
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.82
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.78
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.76
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.77
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.74
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.74
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM		A,B2E940.72
CDD2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-
2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE		B,C1MUE0.71
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.71
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE		H,P2A2X0.75
3MP3-METHYLPYRIDINEA1EUB0.81
3MP3-METHYLPYRIDINEA1BM60.81
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.77
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.77
CDA2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-
1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-
PYRIDINYL)METHYL]ACETAMIDE		B,C1MU60.73
PYS2-PYRIDINETHIOLA,B1CTE0.7
PYS2-PYRIDINETHIOLA2IPP0.7
PHN1,10-PHENANTHROLINEA1LIH0.71
PHN1,10-PHENANTHROLINEA2LIG0.71
PHN1,10-PHENANTHROLINEA,B2FU70.71
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.78
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1X0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWE0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LW00.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HND0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1FKP0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1S1U0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWF0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A2HNY0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1VRT0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1LWC0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLB0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A3HVT0.72
NVP11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-
6-ONE		A1JLF0.72
MILMILRINONEA,B1TLM0.8
PYF3-PYRIDINYLCARBINOLA,B1R160.71
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE		A2W090.75
5IQISOQUINOLIN-5-AMINEA,B2F2T0.73
I11[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-
4-YL-AMINOMETHYL]ALANYL]PIPERIDINE		H1UVS0.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.7
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.74