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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011355

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.77
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.91
PNZP-NITRO-BENZYLAMINEA,B2C700.91
NCR2-NITRO-P-CRESOLA,B1AHV0.71
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.78
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.78
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.79
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.75
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
NID4-NITRO-INDEN-1-ONEA,B1DOH0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
PBZP-AMINO BENZAMIDINEA,B2BDG0.74
PBZP-AMINO BENZAMIDINEA1RFN0.74
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.74
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.74
PBZP-AMINO BENZAMIDINEA1FIZ0.74
PBZP-AMINO BENZAMIDINEA1FIW0.74
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.74
3NT3-NITROTOLUENEA,B2BMR0.98
3NT3-NITROTOLUENEA,B2HMO0.98
NINDINITROPHENYLENEA1RSM0.84
NINDINITROPHENYLENEA1GVY0.84
NINDINITROPHENYLENEA1GW10.84
NBENITROSOBENZENEA1LH70.83
NBENITROSOBENZENEA2LH70.83
NBENITROSOBENZENEA2NSS0.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.8
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.8
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.8
PPNPARA-NITROPHENYLALANINEI1YTJ0.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.78
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.75
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.77
1AN2-FLUOROANILINEA1LGW0.71
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.7
NBZNITROBENZENEA,B2BMQ0.89
NBZNITROBENZENEA,B3BGU0.89
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
34A3,4-DIMETHYLANILINEA1L4K0.79
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.71
PRY2-PROPYL-ANILINEA1OWY0.8
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,B1KDS0.87
TNL2,4,6-TRINITROTOLUENEA1GVR0.92
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.76
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.9
ISOPARA-ISOPROPYLANILINEA1BMA0.79
ISOPARA-ISOPROPYLANILINEA,B1ELC0.79
ISOPARA-ISOPROPYLANILINEA,B1ELB0.79
ISOPARA-ISOPROPYLANILINEA,B1ELA0.79
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.79
XYD2,5-DIMETHYLANILINEA1L4L0.79