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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00065570

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.84
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
NINDINITROPHENYLENEA1RSM0.7
NINDINITROPHENYLENEA1GVY0.7
NINDINITROPHENYLENEA1GW10.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.77
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.74
5AN3,5-DIFLUOROANILINEA1LGX0.74
ANLANILINEA2OV40.78
ANLANILINEA1AEE0.78
ANLANILINEA1PPA0.78
ANLANILINEA1HJ90.78
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
PL01-phenylguanidineA2O8W0.8
PRY2-PROPYL-ANILINEA1OWY0.72
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.73
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
PHZ1-PHENYLHYDRAZINEA2E2T0.74
PHZ1-PHENYLHYDRAZINED,H2AGL0.74
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
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.75
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.75
4NDN4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINEH,I1NO90.75
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.8
BSU1,3-DIPHENYLUREAA3E850.85
BSU1,3-DIPHENYLUREAA2ZJF0.85
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.79
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.79
264(phenylamino)acetonitrileA2RBN0.85
NBENITROSOBENZENEA1LH70.7
NBENITROSOBENZENEA2LH70.7
NBENITROSOBENZENEA2NSS0.7
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.74
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.75
NIT4-NITROANILINEC,D1RMH0.7
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.7
NIT4-NITROANILINEB1VBS0.7
NIT4-NITROANILINEC1V9T0.7
NIT4-NITROANILINEC,D1VBT0.7
NIT4-NITROANILINEB1LOP0.7
NIT4-NITROANILINEC,D1ZKF0.7
NIT4-NITROANILINEB1PIP0.7
1AN2-FLUOROANILINEA1LGW0.76
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.71
URSN-PHENYLTHIOUREAA,B1BUG0.81
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.77
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.72
NYLN-ALLYL-ANILINEA1OVK0.86
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.77
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.72
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.71