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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03130246

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
CPUA,B1CR60.75
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
34A3,4-DIMETHYLANILINEA1L4K0.74
SN81,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
A,B1ZPH0.71
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.7
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1INE0.73
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1IND0.73
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.72
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
1MRN-METHYLANILINEX2OTZ0.75
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.74
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.74
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.72
PRY2-PROPYL-ANILINEA1OWY0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.78
ISOPARA-ISOPROPYLANILINEA,B1ELC0.78
ISOPARA-ISOPROPYLANILINEA,B1ELB0.78
ISOPARA-ISOPROPYLANILINEA,B1ELA0.78
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.7
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.74
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.73
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.82
BSU1,3-DIPHENYLUREAA3E850.79
BSU1,3-DIPHENYLUREAA2ZJF0.79
GASB,H1ETZ0.72
GASH2CGR0.72
URSN-PHENYLTHIOUREAA,B1BUG0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.78
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.78
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
264(phenylamino)acetonitrileA2RBN0.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.82
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.71
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.75
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.75
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.7
NYLN-ALLYL-ANILINEA1OVK0.75
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.72
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.73
MGRMALACHITE GREENA,B3BQZ0.73
MGRMALACHITE GREENA1Q8N0.73
MGRMALACHITE GREENA,B3BR00.73
MGRMALACHITE GREENA,D,E3BTL0.73
MGRMALACHITE GREENA,B,D,E3BTC0.73
MGRMALACHITE GREENA,B,D,E1JUP0.73
529(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-
3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-
1-YL)PHENYL]PROPANAMIDE
A,C,D2BPM0.76
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.74
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.79
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.71
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.79
TSNTRICHOSTATIN AA,B1T640.72
TSNTRICHOSTATIN AA,B1C3R0.72
TSNTRICHOSTATIN AA,B,C3F0R0.72
TSNTRICHOSTATIN AA,B,C3C100.72
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.7
PL01-phenylguanidineA2O8W0.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.83
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.83
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.7
ZAT4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)A2W0J0.76
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.78
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.71
CVICRYSTAL VIOLETA,B,D,E1JTX0.73
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE
A1T9Y0.71
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.7
A8BA1ODC0.71
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.74
IDMINDOLINEA,B3CEP0.77
IDMINDOLINEA1AEK0.77