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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02879369

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
ANCANTHRACEN-1-YLAMINEA,B1GT10.7
ANCANTHRACEN-1-YLAMINEA,B1HN20.7
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.76
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.81
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.72
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.79
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.77
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.7
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.71
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
NIT4-NITROANILINEC,D1RMH0.82
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.82
NIT4-NITROANILINEB1VBS0.82
NIT4-NITROANILINEC1V9T0.82
NIT4-NITROANILINEC,D1VBT0.82
NIT4-NITROANILINEB1LOP0.82
NIT4-NITROANILINEC,D1ZKF0.82
NIT4-NITROANILINEB1PIP0.82
3NT3-NITROTOLUENEA,B2BMR0.86
3NT3-NITROTOLUENEA,B2HMO0.86
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.72
PRY2-PROPYL-ANILINEA1OWY0.84
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
ANLANILINEA2OV40.71
ANLANILINEA1AEE0.71
ANLANILINEA1PPA0.71
ANLANILINEA1HJ90.71
HFTHYDROXYFLUTAMIDEA2AX60.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.91
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
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
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.8
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.88
PNZP-NITRO-BENZYLAMINEA,B2C700.88
9AP9-AMINOPHENANTHRENEA1EGY0.71
NBENITROSOBENZENEA1LH70.73
NBENITROSOBENZENEA2LH70.73
NBENITROSOBENZENEA2NSS0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.81
XYD2,5-DIMETHYLANILINEA1L4L0.81
ISOPARA-ISOPROPYLANILINEA1BMA0.81
ISOPARA-ISOPROPYLANILINEA,B1ELC0.81
ISOPARA-ISOPROPYLANILINEA,B1ELB0.81
ISOPARA-ISOPROPYLANILINEA,B1ELA0.81
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.76
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.76
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.82
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.79
NBZNITROBENZENEA,B2BMQ0.78
NBZNITROBENZENEA,B3BGU0.78
34A3,4-DIMETHYLANILINEA1L4K0.81
NINDINITROPHENYLENEA1RSM0.82
NINDINITROPHENYLENEA1GVY0.82
NINDINITROPHENYLENEA1GW10.82
PPNPARA-NITROPHENYLALANINEI1YTJ0.74