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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008140

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.84
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.83
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.76
NINDINITROPHENYLENEA1RSM0.78
NINDINITROPHENYLENEA1GVY0.78
NINDINITROPHENYLENEA1GW10.78
NBZNITROBENZENEA,B2BMQ0.83
NBZNITROBENZENEA,B3BGU0.83
ANLANILINEA2OV41
ANLANILINEA1AEE1
ANLANILINEA1PPA1
ANLANILINEA1HJ91
PBZP-AMINO BENZAMIDINEA,B2BDG0.77
PBZP-AMINO BENZAMIDINEA1RFN0.77
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.77
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.77
PBZP-AMINO BENZAMIDINEA1FIZ0.77
PBZP-AMINO BENZAMIDINEA1FIW0.77
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.77
NYLN-ALLYL-ANILINEA1OVK0.82
5AN3,5-DIFLUOROANILINEA1LGX0.93
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.84
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.84
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.84
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.84
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.7
1AN2-FLUOROANILINEA1LGW0.96
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.94
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.75
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.75
264(phenylamino)acetonitrileA2RBN0.79
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.76
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
PRY2-PROPYL-ANILINEA1OWY0.84
URSN-PHENYLTHIOUREAA,B1BUG0.79
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.94
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.77
BSU1,3-DIPHENYLUREAA3E850.75
BSU1,3-DIPHENYLUREAA2ZJF0.75
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.77
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.8
PHZ1-PHENYLHYDRAZINEA2E2T0.88
PHZ1-PHENYLHYDRAZINED,H2AGL0.88
SANSULFANILAMIDEA1AJ00.79
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.83
XYD2,5-DIMETHYLANILINEA1L4L0.83
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.76
NBENITROSOBENZENEA1LH70.89
NBENITROSOBENZENEA2LH70.89
NBENITROSOBENZENEA2NSS0.89
ISOPARA-ISOPROPYLANILINEA1BMA0.81
ISOPARA-ISOPROPYLANILINEA,B1ELC0.81
ISOPARA-ISOPROPYLANILINEA,B1ELB0.81
ISOPARA-ISOPROPYLANILINEA,B1ELA0.81
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.83
NIT4-NITROANILINEC,D1RMH0.84
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.84
NIT4-NITROANILINEB1VBS0.84
NIT4-NITROANILINEC1V9T0.84
NIT4-NITROANILINEC,D1VBT0.84
NIT4-NITROANILINEB1LOP0.84
NIT4-NITROANILINEC,D1ZKF0.84
NIT4-NITROANILINEB1PIP0.84
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.81
PL01-phenylguanidineA2O8W0.78
4NL4-AMINOPHENOLA2ORL0.71
34A3,4-DIMETHYLANILINEA1L4K0.81