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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02136691

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3MP3-METHYLPYRIDINEA1EUB0.73
3MP3-METHYLPYRIDINEA1BM60.73
B141-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-
DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-
QUINAZOLINE]-4'-AMINE
A,B3E7T0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.72
MILMILRINONEA,B1TLM0.91
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.76
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
A2W090.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.77
NCANICOTINAMIDEA,B2E5D0.78
NCANICOTINAMIDEA,B,C,D2Z770.78
NCANICOTINAMIDEA,B1DMA0.78
NCANICOTINAMIDEA,B1ISM0.78
NCANICOTINAMIDEA,B1YC50.78
NCANICOTINAMIDEA2ZB70.78
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.78
NCANICOTINAMIDEA,B2QQG0.78
NCANICOTINAMIDEA2OTV0.78
NCANICOTINAMIDEA2QHF0.78
NCANICOTINAMIDEA,B,C,D2C8A0.78
NCANICOTINAMIDEA,B2HJH0.78
NCANICOTINAMIDEA2A150.78
NCANICOTINAMIDEA2R6V0.78
NCANICOTINAMIDEA,B1ISI0.78
NCANICOTINAMIDEA,D,E2R9J0.78
NCANICOTINAMIDEA2H4J0.78
NCANICOTINAMIDEA,B2OD90.78
NCANICOTINAMIDEA,B,C,D,E1YC20.78
NCANICOTINAMIDEA,B3DZG0.78
NCANICOTINAMIDEA1OJU0.78
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.78
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.78
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.78
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.71
AT6N-[2-(6-AMINO-4-METHYLPYRIDIN-2-
YL)ETHYL]-4-CYANOBENZAMIDE
A,B3E680.7
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE
A,B1LXC0.7
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
1UW60.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.71
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,C1MUE0.72
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.71
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
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
NA9N-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-
3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE
H,P2A2X0.7
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.76
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.74
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.74
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,C1MU80.73
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.7
ISQISOQUINOLINEA1GDK0.7
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.71
3AP3-AMINOPYRIDINEA1AEF0.76
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE
E,H1QBV0.72
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
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
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.74
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,C1MU60.75
2862-ethenyl-1-methylpyridiniumX2RC20.77
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.7
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.74
NTNISONICOTINAMIDINEA7ADH0.74
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.8
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE
A1CVZ0.73
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide
A3DKO0.7
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.74
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.74
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.81
APY2-AMINOMETHYL-PYRIDINEI1IVP0.81
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE
A,B1XUR0.7
BRT5-BROMONICOTINAMIDEA,B1GXZ0.71
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77
4AP4-AMINOPYRIDINEA1AEG0.73
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.72
MYTMETYRAPONEA1PHG0.7
MYTMETYRAPONEA1W0G0.7