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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02507241

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ISQISOQUINOLINEA1GDK0.79
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.73
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.72
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.72
KIN1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-
[3-(TRIFLUOROMETHYL)PHENYL]UREA
A2HZN0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.76
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
1UW60.79
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.79
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.79
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.78
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.78
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.78
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.78
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.78
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.78
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
D4GA,B,C,D2FDY0.7
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.78
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.71
PHN1,10-PHENANTHROLINEA1LIH0.72
PHN1,10-PHENANTHROLINEA2LIG0.72
PHN1,10-PHENANTHROLINEA,B2FU70.72
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.71
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)
A2RAH0.72
MYTMETYRAPONEA1PHG0.71
MYTMETYRAPONEA1W0G0.71
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.71
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.7
1SQISOQUINOLIN-1-AMINEA2OHK0.74
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.75
2862-ethenyl-1-methylpyridiniumX2RC20.74
PIX4-(3-{[5-(trifluoromethyl)pyridin-
2-yl]oxy}benzyl)piperidine-1-carboxylic acid
A,B2WAP0.71
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.7
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.7
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.7
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.71
MILMILRINONEA,B1TLM0.71
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.78
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N
A1AU40.73
PY7PYRIDIN-4-YLMETHANOLA2EUR0.83
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.74
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.73
RW14-phenylpyrimidineA,B,C3B9S0.71
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
NTNISONICOTINAMIDINEA7ADH0.75
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.73
EPJEPIBATIDINEA,B,C,D,E2BYQ0.7
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.71
DRP2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-
MONOPHOSPHATE
A,B1JES0.75
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE
A1WBW0.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.71
APY2-AMINOMETHYL-PYRIDINEI1IVP0.71
3MP3-METHYLPYRIDINEA1EUB0.79
3MP3-METHYLPYRIDINEA1BM60.79
PYF3-PYRIDINYLCARBINOLA,B1R160.81
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.72
2823-methoxypyridineX2RBZ0.77
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
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNF0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2H9V0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A,B2ETR0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNJ0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A1Q8T0.7
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.76