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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03385196

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
NBENITROSOBENZENEA1LH70.81
NBENITROSOBENZENEA2LH70.81
NBENITROSOBENZENEA2NSS0.81
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.77
ANLANILINEA2OV40.72
ANLANILINEA1AEE0.72
ANLANILINEA1PPA0.72
ANLANILINEA1HJ90.72
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.76
PBZP-AMINO BENZAMIDINEA,B2BDG0.7
PBZP-AMINO BENZAMIDINEA1RFN0.7
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.7
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.7
PBZP-AMINO BENZAMIDINEA1FIZ0.7
PBZP-AMINO BENZAMIDINEA1FIW0.7
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.7
34A3,4-DIMETHYLANILINEA1L4K0.75
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.85
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.86
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
NID4-NITRO-INDEN-1-ONEA,B1DOH0.73
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
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.77
XYD2,5-DIMETHYLANILINEA1L4L0.77
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.75
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.75
3NT3-NITROTOLUENEA,B2BMR0.95
3NT3-NITROTOLUENEA,B2HMO0.95
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
NBZNITROBENZENEA,B2BMQ0.87
NBZNITROBENZENEA,B3BGU0.87
TNL2,4,6-TRINITROTOLUENEA1GVR0.86
PRY2-PROPYL-ANILINEA1OWY0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.75
NCR2-NITRO-P-CRESOLA,B1AHV0.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.87
PNZP-NITRO-BENZYLAMINEA,B2C700.87
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.76
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72
NINDINITROPHENYLENEA1RSM0.82
NINDINITROPHENYLENEA1GVY0.82
NINDINITROPHENYLENEA1GW10.82