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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02878258

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.84
427(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
A1ZMN0.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.71
PL01-phenylguanidineA2O8W0.83
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.75
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.75
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.75
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.75
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.77
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.72
PH3N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINEA,B1DM60.74
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.72
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
NYLN-ALLYL-ANILINEA1OVK0.87
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.93
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.93
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.82
URSN-PHENYLTHIOUREAA,B1BUG0.84
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
BNFN-BENZYLFORMAMIDEA,B1U3U0.7
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.7
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.74
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.77
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.71
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.73
1AN2-FLUOROANILINEA1LGW0.71
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.76
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
264(phenylamino)acetonitrileA2RBN0.86
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.76
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.7
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.77
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.71
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.72
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.71
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.72
BSU1,3-DIPHENYLUREAA3E850.91
BSU1,3-DIPHENYLUREAA2ZJF0.91
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.8
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.8