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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018684

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.77
HFTHYDROXYFLUTAMIDEA2AX60.72
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.73
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.75
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.85
ANLANILINEA2OV40.7
ANLANILINEA1AEE0.7
ANLANILINEA1PPA0.7
ANLANILINEA1HJ90.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.74
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.74
NBENITROSOBENZENEA1LH70.79
NBENITROSOBENZENEA2LH70.79
NBENITROSOBENZENEA2NSS0.79
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.84
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.75
3NT3-NITROTOLUENEA,B2BMR0.95
3NT3-NITROTOLUENEA,B2HMO0.95
NINDINITROPHENYLENEA1RSM0.84
NINDINITROPHENYLENEA1GVY0.84
NINDINITROPHENYLENEA1GW10.84
NID4-NITRO-INDEN-1-ONEA,B1DOH0.74
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.78
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
NCR2-NITRO-P-CRESOLA,B1AHV0.7
NBZNITROBENZENEA,B2BMQ0.85
NBZNITROBENZENEA,B3BGU0.85
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.87
PNZP-NITRO-BENZYLAMINEA,B2C700.87
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
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
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.77
34A3,4-DIMETHYLANILINEA1L4K0.76
TNL2,4,6-TRINITROTOLUENEA1GVR0.92
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.79
XYD2,5-DIMETHYLANILINEA1L4L0.79