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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02256910

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
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.78
9AP9-AMINOPHENANTHRENEA1EGY0.72
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.7
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.75
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.75
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
PHZ1-PHENYLHYDRAZINEA2E2T0.7
PHZ1-PHENYLHYDRAZINED,H2AGL0.7
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
BRNBERENILA,B268D0.71
BRNBERENILA,B1D630.71
BRNBERENILA,D,E2GBY0.71
BRNBERENILA2DBE0.71
BRNBERENILA2GVR0.71
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.8
2631-(azidomethyl)-3-methylbenzeneX2RB20.84
ANCANTHRACEN-1-YLAMINEA,B1GT10.73
ANCANTHRACEN-1-YLAMINEA,B1HN20.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.76
271N-methyl-1-phenylmethanamineX2RBT0.76
PBZP-AMINO BENZAMIDINEA,B2BDG0.73
PBZP-AMINO BENZAMIDINEA1RFN0.73
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.73
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.73
PBZP-AMINO BENZAMIDINEA1FIZ0.73
PBZP-AMINO BENZAMIDINEA1FIW0.73
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.73
BZZBENZYLHYDRAZINEA,B2E2V0.72
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
PRY2-PROPYL-ANILINEA1OWY0.84
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
MGRMALACHITE GREENA,B3BQZ0.74
MGRMALACHITE GREENA1Q8N0.74
MGRMALACHITE GREENA,B3BR00.74
MGRMALACHITE GREENA,D,E3BTL0.74
MGRMALACHITE GREENA,B,D,E3BTC0.74
MGRMALACHITE GREENA,B,D,E1JUP0.74
ABNBENZYLAMINED,H2HXC0.73
ABNBENZYLAMINEA,I1A860.73
ABNBENZYLAMINEA1UTN0.73
ABNBENZYLAMINEA1N6X0.73
ABNBENZYLAMINEA2BZA0.73
ABNBENZYLAMINEA2EUS0.73
ABNBENZYLAMINEA1N6Y0.73
ABNBENZYLAMINEA1UTJ0.73
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.71
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.76
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.7
ANLANILINEA2OV40.71
ANLANILINEA1AEE0.71
ANLANILINEA1PPA0.71
ANLANILINEA1HJ90.71
DPKDEPRENYLA,B2BYB0.74
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.76
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.83
XYD2,5-DIMETHYLANILINEA1L4L0.83
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.76
CVICRYSTAL VIOLETA,B,D,E1JTX0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.81
ISOPARA-ISOPROPYLANILINEA,B1ELC0.81
ISOPARA-ISOPROPYLANILINEA,B1ELB0.81
ISOPARA-ISOPROPYLANILINEA,B1ELA0.81
34A3,4-DIMETHYLANILINEA1L4K0.79
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.84
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76
1MRN-METHYLANILINEX2OTZ0.71