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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005716

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANLANILINEA2OV40.72
ANLANILINEA1AEE0.72
ANLANILINEA1PPA0.72
ANLANILINEA1HJ90.72
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.79
HFTHYDROXYFLUTAMIDEA2AX60.7
NBZNITROBENZENEA,B2BMQ0.8
NBZNITROBENZENEA,B3BGU0.8
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.84
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.75
NINDINITROPHENYLENEA1RSM0.84
NINDINITROPHENYLENEA1GVY0.84
NINDINITROPHENYLENEA1GW10.84
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.77
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.78
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.81
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.79
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.78
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
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.75
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.8
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.81
XYD2,5-DIMETHYLANILINEA1L4L0.81
34A3,4-DIMETHYLANILINEA1L4K0.79
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
3NT3-NITROTOLUENEA,B2BMR0.88
3NT3-NITROTOLUENEA,B2HMO0.88
NBENITROSOBENZENEA1LH70.74
NBENITROSOBENZENEA2LH70.74
NBENITROSOBENZENEA2NSS0.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.93
PRY2-PROPYL-ANILINEA1OWY0.82
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