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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02223769

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.84
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.77
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.77
ANLANILINEA2OV40.72
ANLANILINEA1AEE0.72
ANLANILINEA1PPA0.72
ANLANILINEA1HJ90.72
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.71
OSPSULTHIAMEA2Q1Q0.72
MPX4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDEA1ZH90.7
NYLN-ALLYL-ANILINEA1OVK0.88
A8BA1ODC0.72
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.81
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.74
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.76
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPR0.7
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A,B2OPS0.7
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPP0.7
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPQ0.7
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.76
BSU1,3-DIPHENYLUREAA3E850.75
BSU1,3-DIPHENYLUREAA2ZJF0.75
URSN-PHENYLTHIOUREAA,B1BUG0.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
PL01-phenylguanidineA2O8W0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.74
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.79
264(phenylamino)acetonitrileA2RBN0.91
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.76
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.76
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76