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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01228425

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.71
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.88
5AN3,5-DIFLUOROANILINEA1LGX0.75
SANSULFANILAMIDEA1AJ00.77
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.78
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.78
ANLANILINEA2OV40.74
ANLANILINEA1AEE0.74
ANLANILINEA1PPA0.74
ANLANILINEA1HJ90.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.74
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.74
1AN2-FLUOROANILINEA1LGW0.75
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.74
34A3,4-DIMETHYLANILINEA1L4K0.83
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.84
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
PBZP-AMINO BENZAMIDINEA,B2BDG0.76
PBZP-AMINO BENZAMIDINEA1RFN0.76
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.76
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.76
PBZP-AMINO BENZAMIDINEA1FIZ0.76
PBZP-AMINO BENZAMIDINEA1FIW0.76
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.76
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.79
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
ISOPARA-ISOPROPYLANILINEA1BMA0.83
ISOPARA-ISOPROPYLANILINEA,B1ELC0.83
ISOPARA-ISOPROPYLANILINEA,B1ELB0.83
ISOPARA-ISOPROPYLANILINEA,B1ELA0.83
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
9AP9-AMINOPHENANTHRENEA1EGY0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.88
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.88
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.88
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.88
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.8
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.73
PRY2-PROPYL-ANILINEA1OWY0.83
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.74
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.76