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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00343723

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NYLN-ALLYL-ANILINEA1OVK0.8
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.78
NMQN-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1C0.71
ONPO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Y0.75
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.71
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.74
PNZP-NITRO-BENZYLAMINEA,B2C700.74
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.75
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.76
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.76
264(phenylamino)acetonitrileA2RBN0.79
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.79
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.7
NINDINITROPHENYLENEA1RSM0.74
NINDINITROPHENYLENEA1GVY0.74
NINDINITROPHENYLENEA1GW10.74
1MRN-METHYLANILINEX2OTZ0.78
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.8
OSPSULTHIAMEA2Q1Q0.71
NIT4-NITROANILINEC,D1RMH0.78
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.78
NIT4-NITROANILINEB1VBS0.78
NIT4-NITROANILINEC1V9T0.78
NIT4-NITROANILINEC,D1VBT0.78
NIT4-NITROANILINEB1LOP0.78
NIT4-NITROANILINEC,D1ZKF0.78
NIT4-NITROANILINEB1PIP0.78
URSN-PHENYLTHIOUREAA,B1BUG0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.71
NBZNITROBENZENEA,B2BMQ0.73
NBZNITROBENZENEA,B3BGU0.73
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.78
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.73
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.88
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.76
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.81
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.73