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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02391553

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N
A1AU40.71
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.75
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.71
PYF3-PYRIDINYLCARBINOLA,B1R160.84
ELP(1R)-1-[((1E)-{3-HYDROXY-2-METHYL-
5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID
A1M0P0.7
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol
A,B3EPX0.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.71
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.72
NTNISONICOTINAMIDINEA7ADH0.76
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.75
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.71
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.71
MILMILRINONEA,B1TLM0.7
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.7
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.73
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.71
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.7
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.76
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.72
APY2-AMINOMETHYL-PYRIDINEI1IVP0.72
PY7PYRIDIN-4-YLMETHANOLA2EUR0.84
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
3MP3-METHYLPYRIDINEA1EUB0.78
3MP3-METHYLPYRIDINEA1BM60.78
NIONICOTINIC ACIDA1JHQ0.72
NIONICOTINIC ACIDA1L5L0.72
NIONICOTINIC ACIDA2F7F0.72
NIONICOTINIC ACIDA1L5K0.72
NIONICOTINIC ACIDA1JHY0.72
NIONICOTINIC ACIDA,B1FSL0.72
NIONICOTINIC ACIDA1L5M0.72
NIONICOTINIC ACIDA1LH60.72
NIONICOTINIC ACIDA1JHO0.72
NIONICOTINIC ACIDA3CI80.72
NIONICOTINIC ACIDA,B,C,D1ICU0.72
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.72
NIONICOTINIC ACIDA1JHA0.72
NIONICOTINIC ACIDA1JHV0.72
NIONICOTINIC ACIDA1L4N0.72
NIONICOTINIC ACIDA2LH60.72
NIONICOTINIC ACIDA1D0V0.72
NIONICOTINIC ACIDA,B,C,D1ICV0.72
NIONICOTINIC ACIDA,B1ICR0.72
NIONICOTINIC ACIDA1JHR0.72
RW14-phenylpyrimidineA,B,C3B9S0.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.71
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.71
PHN1,10-PHENANTHROLINEA1LIH0.72
PHN1,10-PHENANTHROLINEA2LIG0.72
PHN1,10-PHENANTHROLINEA,B2FU70.72
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.71
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.75
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.72
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.72
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.72
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.72
ISQISOQUINOLINEA1GDK0.8
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide
A,B,C,D3D3E0.71
MYTMETYRAPONEA1PHG0.71
MYTMETYRAPONEA1W0G0.71
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.7
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.71
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE
A1F400.7
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.8
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.71
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.7
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.7
PIX4-(3-{[5-(trifluoromethyl)pyridin-
2-yl]oxy}benzyl)piperidine-1-carboxylic acid
A,B2WAP0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.74
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.74
5IQISOQUINOLIN-5-AMINEA,B2F2T0.77
2862-ethenyl-1-methylpyridiniumX2RC20.73
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.71
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEE2ERZ0.7
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEA,B2ETK0.7
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.72
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.72
1SQISOQUINOLIN-1-AMINEA2OHK0.75
2823-methoxypyridineX2RBZ0.7
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.74
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL
A,B2DV20.71
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL
A,B2FXJ0.71
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.73
D4GA,B,C,D2FDY0.71
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.73
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.79
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.79
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.79
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.79
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.79
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.79
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
EPJEPIBATIDINEA,B,C,D,E2BYQ0.7
DRP2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-
MONOPHOSPHATE
A,B1JES0.75
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.71