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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00715310

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.71
3AB3-aminobenzamideA,B,C,D3GOY0.72
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.72
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.77
PNZP-NITRO-BENZYLAMINEA,B2C700.77
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.75
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.7
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.77
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.72
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
CRIA,B1VKG0.74
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.78
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.7
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.71
NID4-NITRO-INDEN-1-ONEA,B1DOH0.74
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.77
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.71
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.71
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.71
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.71
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.71
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.71
PYQPYROQUILONA1JA90.71
PYQPYROQUILONA,B,C,D1G0O0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.71
CBLCHLORAMBUCILA,B3CSJ0.71
HFTHYDROXYFLUTAMIDEA2AX60.71
SX34-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}aniline
A,B3CJ20.7
TNSA,B,L2G2R0.77
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.71
TSNTRICHOSTATIN AA,B1T640.77
TSNTRICHOSTATIN AA,B1C3R0.77
TSNTRICHOSTATIN AA,B,C3F0R0.77
TSNTRICHOSTATIN AA,B,C3C100.77
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.75
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
FEXA1OSH0.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.76
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.8
HYQREL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-
2-(4-NITRO-1-NAPHTHALENYL)-4,7-
ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE
A1XNN0.7
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.75
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71
AAHH1KEL0.77
AAHB,H1FL60.77