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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03780846

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.7
FBA4-FLUOROBENZYLAMINEA1TNH0.7
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.86
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.78
BRNBERENILA,B268D0.79
BRNBERENILA,B1D630.79
BRNBERENILA,D,E2GBY0.79
BRNBERENILA2DBE0.79
BRNBERENILA2GVR0.79
3AB3-aminobenzamideA,B,C,D3GOY0.72
NBENITROSOBENZENEA1LH70.71
NBENITROSOBENZENEA2LH70.71
NBENITROSOBENZENEA2NSS0.71
ANLANILINEA2OV40.77
ANLANILINEA1AEE0.77
ANLANILINEA1PPA0.77
ANLANILINEA1HJ90.77
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.7
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
1MRN-METHYLANILINEX2OTZ0.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.78
PNZP-NITRO-BENZYLAMINEA,B2C700.78
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.77
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.84
264(phenylamino)acetonitrileA2RBN0.71
BENBENZAMIDINEA2TIO0.75
BENBENZAMIDINEA1J150.75
BENBENZAMIDINEA,B3BEU0.75
BENBENZAMIDINET1V2U0.75
BENBENZAMIDINEA,B,C,D,E,F3CF80.75
BENBENZAMIDINEA1S0R0.75
BENBENZAMIDINEA,B1V160.75
BENBENZAMIDINEA1CC70.75
BENBENZAMIDINEA3BG80.75
BENBENZAMIDINEA1CC80.75
BENBENZAMIDINEA3PTB0.75
BENBENZAMIDINEA,B1TRM0.75
BENBENZAMIDINEA1ZHR0.75
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.75
BENBENZAMIDINEA2BLV0.75
BENBENZAMIDINEA,B,C,D,E,F2GLP0.75
BENBENZAMIDINEH,I3D490.75
BENBENZAMIDINEH,L,T2AER0.75
BENBENZAMIDINEA1J140.75
BENBENZAMIDINEA1NSA0.75
BENBENZAMIDINEA2AYW0.75
BENBENZAMIDINEA1BRA0.75
BENBENZAMIDINEA,B,C,D1A0J0.75
BENBENZAMIDINEB,C,D2AST0.75
BENBENZAMIDINEA,B2CKR0.75
BENBENZAMIDINEA1LPU0.75
BENBENZAMIDINEA1ZHM0.75
BENBENZAMIDINEA1J8A0.75
BENBENZAMIDINEA,B3BCX0.75
BENBENZAMIDINEA,B,C,D,E,F3CF90.75
BENBENZAMIDINEA,B,C,D,E,F3D040.75
BENBENZAMIDINEA,B,C,D,E,F2GLL0.75
BENBENZAMIDINEA1AND0.75
BENBENZAMIDINEA2TBS0.75
BENBENZAMIDINEA,B,C,D,E,F3DP20.75
BENBENZAMIDINET1V2M0.75
BENBENZAMIDINEA2EEK0.75
BENBENZAMIDINEH,I2ZI20.75
BENBENZAMIDINET1V2J0.75
BENBENZAMIDINEH1KLI0.75
BENBENZAMIDINEA1CE50.75
BENBENZAMIDINEA,B,C,D,E,F3B7J0.75
BENBENZAMIDINEB,Y2PKA0.75
BENBENZAMIDINEA2VJ00.75
BENBENZAMIDINEA3B3J0.75
BENBENZAMIDINEA,B,C,D,E,F3DOY0.75
BENBENZAMIDINEA,B,C,D,E,F3DP30.75
BENBENZAMIDINEA,B,C,D,E,F2GLM0.75
BENBENZAMIDINEA1ANB0.75
BENBENZAMIDINEA1LO60.75
BENBENZAMIDINEA1LR40.75
BENBENZAMIDINEA,B1V1M0.75
BENBENZAMIDINEA1ZHP0.75
BENBENZAMIDINEA2J9N0.75
BENBENZAMIDINEA2BMV0.75
BENBENZAMIDINEA,B2CKS0.75
BENBENZAMIDINEA2BLW0.75
BENBENZAMIDINEA1J160.75
BENBENZAMIDINEA,B1V110.75
BENBENZAMIDINEA,B,C,D,E,F3DP00.75
BENBENZAMIDINEB1RTF0.75
BENBENZAMIDINEA,B,C,D,E,F3DP10.75
BENBENZAMIDINEA,B,C,D2E580.75
BENBENZAMIDINEA2TRM0.75
BENBENZAMIDINET1V2V0.75
BENBENZAMIDINEA1MBQ0.75
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.75
BENBENZAMIDINEA2O8U0.75
BENBENZAMIDINEH1DWB0.75
BENBENZAMIDINEB,C2ASS0.75
BENBENZAMIDINEA1ANE0.75
BENBENZAMIDINEH,I2ZIQ0.75
BENBENZAMIDINEA1BIT0.75
BENBENZAMIDINEA2AIQ0.75
BENBENZAMIDINEA2OQ50.75
BENBENZAMIDINEA1ANC0.75
BENBENZAMIDINEH1JBU0.75
BENBENZAMIDINEA,B2BPQ0.75
BENBENZAMIDINEA,B,C,D2GNN0.75
BENBENZAMIDINET1V2S0.75
BENBENZAMIDINEA1H4W0.75
BENBENZAMIDINEA1OSS0.75
BENBENZAMIDINEA1W800.75
BENBENZAMIDINEA1BTY0.75
BENBENZAMIDINEH,I2ZFQ0.75
BENBENZAMIDINEA1EAX0.75
BENBENZAMIDINEA1L2E0.75
BENBENZAMIDINEA1WRI0.75
BENBENZAMIDINEA,B3BB80.75
BENBENZAMIDINEA2OXS0.75
BENBENZAMIDINEA1DPO0.75
BENBENZAMIDINET1V2L0.75
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.73
ISOPARA-ISOPROPYLANILINEA1BMA0.86
ISOPARA-ISOPROPYLANILINEA,B1ELC0.86
ISOPARA-ISOPROPYLANILINEA,B1ELB0.86
ISOPARA-ISOPROPYLANILINEA,B1ELA0.86
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.86
XYD2,5-DIMETHYLANILINEA1L4L0.86
1AN2-FLUOROANILINEA1LGW0.74
NYLN-ALLYL-ANILINEA1OVK0.71
34A3,4-DIMETHYLANILINEA1L4K0.86
5AN3,5-DIFLUOROANILINEA1LGX0.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.76
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.81
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.81
9AP9-AMINOPHENANTHRENEA1EGY0.73
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.74
PHZ1-PHENYLHYDRAZINEA2E2T0.73
PHZ1-PHENYLHYDRAZINED,H2AGL0.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.82
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.78
ABNBENZYLAMINED,H2HXC0.73
ABNBENZYLAMINEA,I1A860.73
ABNBENZYLAMINEA1UTN0.73
ABNBENZYLAMINEA1N6X0.73
ABNBENZYLAMINEA2BZA0.73
ABNBENZYLAMINEA2EUS0.73
ABNBENZYLAMINEA1N6Y0.73
ABNBENZYLAMINEA1UTJ0.73
PL01-phenylguanidineA2O8W0.74
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.84
PRY2-PROPYL-ANILINEA1OWY0.87
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.83
URSN-PHENYLTHIOUREAA,B1BUG0.71
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.83
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.83
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.83
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.83
271N-methyl-1-phenylmethanamineX2RBT0.73
MGRMALACHITE GREENA,B3BQZ0.75
MGRMALACHITE GREENA1Q8N0.75
MGRMALACHITE GREENA,B3BR00.75
MGRMALACHITE GREENA,D,E3BTL0.75
MGRMALACHITE GREENA,B,D,E3BTC0.75
MGRMALACHITE GREENA,B,D,E1JUP0.75
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.87
PBZP-AMINO BENZAMIDINEA1RFN0.87
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.87
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.87
PBZP-AMINO BENZAMIDINEA1FIZ0.87
PBZP-AMINO BENZAMIDINEA1FIW0.87
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.87
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.7
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.7
BAMBENZAMIDINEU1F5K0.75
BAMBENZAMIDINEX2BY80.75
BAMBENZAMIDINEB2PSM0.75
BAMBENZAMIDINEX2BY90.75
BAMBENZAMIDINEA1C1N0.75
BAMBENZAMIDINEX2BY60.75
BAMBENZAMIDINEH,I1C5O0.75
BAMBENZAMIDINEA1XX40.75
BAMBENZAMIDINEA1HJ80.75
BAMBENZAMIDINEA1C5P0.75
BAMBENZAMIDINEB1C5Z0.75
BAMBENZAMIDINEA,B1ZVW0.75
BAMBENZAMIDINEA2ANW0.75
BAMBENZAMIDINEA2ANY0.75
BAMBENZAMIDINEX2BYA0.75
BAMBENZAMIDINEA1TIO0.75
BAMBENZAMIDINEX2BY50.75
BAMBENZAMIDINEX2BY70.75
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.79
CVICRYSTAL VIOLETA,B,D,E1JTX0.75