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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02271874

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
PRY2-PROPYL-ANILINEA1OWY0.78
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.75
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.75
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.75
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.76
NBZNITROBENZENEA,B2BMQ0.83
NBZNITROBENZENEA,B3BGU0.83
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.91
PNZP-NITRO-BENZYLAMINEA,B2C700.91
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.73
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.7
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
AAHH1KEL0.71
AAHB,H1FL60.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
3NT3-NITROTOLUENEA,B2BMR0.91
3NT3-NITROTOLUENEA,B2HMO0.91
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.84
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.77
XYD2,5-DIMETHYLANILINEA1L4L0.77
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
34A3,4-DIMETHYLANILINEA1L4K0.78
NIT4-NITROANILINEC,D1RMH0.8
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.8
NIT4-NITROANILINEB1VBS0.8
NIT4-NITROANILINEC1V9T0.8
NIT4-NITROANILINEC,D1VBT0.8
NIT4-NITROANILINEB1LOP0.8
NIT4-NITROANILINEC,D1ZKF0.8
NIT4-NITROANILINEB1PIP0.8
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
NID4-NITRO-INDEN-1-ONEA,B1DOH0.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.86
TNSA,B,L2G2R0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.83
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
PBZP-AMINO BENZAMIDINEA,B2BDG0.71
PBZP-AMINO BENZAMIDINEA1RFN0.71
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.71
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.71
PBZP-AMINO BENZAMIDINEA1FIZ0.71
PBZP-AMINO BENZAMIDINEA1FIW0.71
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.71
NBENITROSOBENZENEA1LH70.77
NBENITROSOBENZENEA2LH70.77
NBENITROSOBENZENEA2NSS0.77
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.81
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.7
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.79
ISOPARA-ISOPROPYLANILINEA1BMA0.76
ISOPARA-ISOPROPYLANILINEA,B1ELC0.76
ISOPARA-ISOPROPYLANILINEA,B1ELB0.76
ISOPARA-ISOPROPYLANILINEA,B1ELA0.76
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.73
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.74
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72
NINDINITROPHENYLENEA1RSM0.82
NINDINITROPHENYLENEA1GVY0.82
NINDINITROPHENYLENEA1GW10.82
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.7
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.75