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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03924330

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.91
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.73
1AN2-FLUOROANILINEA1LGW0.7
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.7
NIT4-NITROANILINEC,D1RMH0.83
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.83
NIT4-NITROANILINEB1VBS0.83
NIT4-NITROANILINEC1V9T0.83
NIT4-NITROANILINEC,D1VBT0.83
NIT4-NITROANILINEB1LOP0.83
NIT4-NITROANILINEC,D1ZKF0.83
NIT4-NITROANILINEB1PIP0.83
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.92
PNZP-NITRO-BENZYLAMINEA,B2C700.92
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.8
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.77
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
NBENITROSOBENZENEA1LH70.82
NBENITROSOBENZENEA2LH70.82
NBENITROSOBENZENEA2NSS0.82
PBZP-AMINO BENZAMIDINEA,B2BDG0.75
PBZP-AMINO BENZAMIDINEA1RFN0.75
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.75
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.75
PBZP-AMINO BENZAMIDINEA1FIZ0.75
PBZP-AMINO BENZAMIDINEA1FIW0.75
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.75
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.86
NBZNITROBENZENEA,B2BMQ0.88
NBZNITROBENZENEA,B3BGU0.88
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
NID4-NITRO-INDEN-1-ONEA,B1DOH0.74
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.76
ISOPARA-ISOPROPYLANILINEA1BMA0.8
ISOPARA-ISOPROPYLANILINEA,B1ELC0.8
ISOPARA-ISOPROPYLANILINEA,B1ELB0.8
ISOPARA-ISOPROPYLANILINEA,B1ELA0.8
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.8
XYD2,5-DIMETHYLANILINEA1L4L0.8
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.72
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.72
PRY2-PROPYL-ANILINEA1OWY0.81
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.77
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.76
34A3,4-DIMETHYLANILINEA1L4K0.8
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.76
AAHH1KEL0.7
AAHB,H1FL60.7
3NT3-NITROTOLUENEA,B2BMR0.94
3NT3-NITROTOLUENEA,B2HMO0.94
PPNPARA-NITROPHENYLALANINEI1YTJ0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.89
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.78
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.73
NINDINITROPHENYLENEA1RSM0.83
NINDINITROPHENYLENEA1GVY0.83
NINDINITROPHENYLENEA1GW10.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.79
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.79
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.79