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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00047570

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
ANLANILINEA2OV40.72
ANLANILINEA1AEE0.72
ANLANILINEA1PPA0.72
ANLANILINEA1HJ90.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.81
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
34A3,4-DIMETHYLANILINEA1L4K0.85
CVICRYSTAL VIOLETA,B,D,E1JTX0.76
ANCANTHRACEN-1-YLAMINEA,B1GT10.73
ANCANTHRACEN-1-YLAMINEA,B1HN20.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.79
9AP9-AMINOPHENANTHRENEA1EGY0.74
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.75
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
MGRMALACHITE GREENA,B3BQZ0.76
MGRMALACHITE GREENA1Q8N0.76
MGRMALACHITE GREENA,B3BR00.76
MGRMALACHITE GREENA,D,E3BTL0.76
MGRMALACHITE GREENA,B,D,E3BTC0.76
MGRMALACHITE GREENA,B,D,E1JUP0.76
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
PRY2-PROPYL-ANILINEA1OWY0.84
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.74
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.8
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.71
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
NBENITROSOBENZENEA1LH70.72
NBENITROSOBENZENEA2LH70.72
NBENITROSOBENZENEA2NSS0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.81
XYD2,5-DIMETHYLANILINEA1L4L0.81
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.87
ISOPARA-ISOPROPYLANILINEA,B1ELC0.87
ISOPARA-ISOPROPYLANILINEA,B1ELB0.87
ISOPARA-ISOPROPYLANILINEA,B1ELA0.87
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76