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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02248668

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.93
3NT3-NITROTOLUENEA,B2HMO0.93
NBENITROSOBENZENEA1LH70.81
NBENITROSOBENZENEA2LH70.81
NBENITROSOBENZENEA2NSS0.81
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
ANLANILINEA2OV40.72
ANLANILINEA1AEE0.72
ANLANILINEA1PPA0.72
ANLANILINEA1HJ90.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.77
TNL2,4,6-TRINITROTOLUENEA1GVR0.88
PBZP-AMINO BENZAMIDINEA,B2BDG0.72
PBZP-AMINO BENZAMIDINEA1RFN0.72
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.72
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.72
PBZP-AMINO BENZAMIDINEA1FIZ0.72
PBZP-AMINO BENZAMIDINEA1FIW0.72
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.76
34A3,4-DIMETHYLANILINEA1L4K0.75
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.85
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
NID4-NITRO-INDEN-1-ONEA,B1DOH0.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.73
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
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.75
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
NBZNITROBENZENEA,B2BMQ0.87
NBZNITROBENZENEA,B3BGU0.87
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.89
PNZP-NITRO-BENZYLAMINEA,B2C700.89
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.73
PRY2-PROPYL-ANILINEA1OWY0.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.75
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.88
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.75
NINDINITROPHENYLENEA1RSM0.82
NINDINITROPHENYLENEA1GVY0.82
NINDINITROPHENYLENEA1GW10.82