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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024787

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.81
3AB3-aminobenzamideA,B,C,D3GOY0.72
NBZNITROBENZENEA,B2BMQ0.82
NBZNITROBENZENEA,B3BGU0.82
TNL2,4,6-TRINITROTOLUENEA1GVR0.87
NBENITROSOBENZENEA1LH70.76
NBENITROSOBENZENEA2LH70.76
NBENITROSOBENZENEA2NSS0.76
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
3NT3-NITROTOLUENEA,B2BMR0.92
3NT3-NITROTOLUENEA,B2HMO0.92
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.82
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.84
XYD2,5-DIMETHYLANILINEA1L4L0.84
NIT4-NITROANILINEC,D1RMH0.88
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.88
NIT4-NITROANILINEB1VBS0.88
NIT4-NITROANILINEC1V9T0.88
NIT4-NITROANILINEC,D1VBT0.88
NIT4-NITROANILINEB1LOP0.88
NIT4-NITROANILINEC,D1ZKF0.88
NIT4-NITROANILINEB1PIP0.88
NID4-NITRO-INDEN-1-ONEA,B1DOH0.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.78
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
HFTHYDROXYFLUTAMIDEA2AX60.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.77
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.77
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.77
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.73
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.72
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.73
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.78
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
PHZ1-PHENYLHYDRAZINEA2E2T0.71
PHZ1-PHENYLHYDRAZINED,H2AGL0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
PBZP-AMINO BENZAMIDINEA,B2BDG0.76
PBZP-AMINO BENZAMIDINEA1RFN0.76
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.76
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.76
PBZP-AMINO BENZAMIDINEA1FIZ0.76
PBZP-AMINO BENZAMIDINEA1FIW0.76
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.76
NINDINITROPHENYLENEA1RSM0.79
NINDINITROPHENYLENEA1GVY0.79
NINDINITROPHENYLENEA1GW10.79
1AN2-FLUOROANILINEA1LGW0.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.8
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.8
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
9AP9-AMINOPHENANTHRENEA1EGY0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.83
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.82
PRY2-PROPYL-ANILINEA1OWY0.83
34A3,4-DIMETHYLANILINEA1L4K0.81
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.9
PNZP-NITRO-BENZYLAMINEA,B2C700.9
ISOPARA-ISOPROPYLANILINEA1BMA0.79
ISOPARA-ISOPROPYLANILINEA,B1ELC0.79
ISOPARA-ISOPROPYLANILINEA,B1ELB0.79
ISOPARA-ISOPROPYLANILINEA,B1ELA0.79