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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007176

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BENBENZAMIDINEA2TIO0.7
BENBENZAMIDINEA1J150.7
BENBENZAMIDINEA,B3BEU0.7
BENBENZAMIDINET1V2U0.7
BENBENZAMIDINEA,B,C,D,E,F3CF80.7
BENBENZAMIDINEA1S0R0.7
BENBENZAMIDINEA,B1V160.7
BENBENZAMIDINEA1CC70.7
BENBENZAMIDINEA3BG80.7
BENBENZAMIDINEA1CC80.7
BENBENZAMIDINEA3PTB0.7
BENBENZAMIDINEA,B1TRM0.7
BENBENZAMIDINEA1ZHR0.7
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.7
BENBENZAMIDINEA2BLV0.7
BENBENZAMIDINEA,B,C,D,E,F2GLP0.7
BENBENZAMIDINEH,I3D490.7
BENBENZAMIDINEH,L,T2AER0.7
BENBENZAMIDINEA1J140.7
BENBENZAMIDINEA1NSA0.7
BENBENZAMIDINEA2AYW0.7
BENBENZAMIDINEA1BRA0.7
BENBENZAMIDINEA,B,C,D1A0J0.7
BENBENZAMIDINEB,C,D2AST0.7
BENBENZAMIDINEA,B2CKR0.7
BENBENZAMIDINEA1LPU0.7
BENBENZAMIDINEA1ZHM0.7
BENBENZAMIDINEA1J8A0.7
BENBENZAMIDINEA,B3BCX0.7
BENBENZAMIDINEA,B,C,D,E,F3CF90.7
BENBENZAMIDINEA,B,C,D,E,F3D040.7
BENBENZAMIDINEA,B,C,D,E,F2GLL0.7
BENBENZAMIDINEA1AND0.7
BENBENZAMIDINEA2TBS0.7
BENBENZAMIDINEA,B,C,D,E,F3DP20.7
BENBENZAMIDINET1V2M0.7
BENBENZAMIDINEA2EEK0.7
BENBENZAMIDINEH,I2ZI20.7
BENBENZAMIDINET1V2J0.7
BENBENZAMIDINEH1KLI0.7
BENBENZAMIDINEA1CE50.7
BENBENZAMIDINEA,B,C,D,E,F3B7J0.7
BENBENZAMIDINEB,Y2PKA0.7
BENBENZAMIDINEA2VJ00.7
BENBENZAMIDINEA3B3J0.7
BENBENZAMIDINEA,B,C,D,E,F3DOY0.7
BENBENZAMIDINEA,B,C,D,E,F3DP30.7
BENBENZAMIDINEA,B,C,D,E,F2GLM0.7
BENBENZAMIDINEA1ANB0.7
BENBENZAMIDINEA1LO60.7
BENBENZAMIDINEA1LR40.7
BENBENZAMIDINEA,B1V1M0.7
BENBENZAMIDINEA1ZHP0.7
BENBENZAMIDINEA2J9N0.7
BENBENZAMIDINEA2BMV0.7
BENBENZAMIDINEA,B2CKS0.7
BENBENZAMIDINEA2BLW0.7
BENBENZAMIDINEA1J160.7
BENBENZAMIDINEA,B1V110.7
BENBENZAMIDINEA,B,C,D,E,F3DP00.7
BENBENZAMIDINEB1RTF0.7
BENBENZAMIDINEA,B,C,D,E,F3DP10.7
BENBENZAMIDINEA,B,C,D2E580.7
BENBENZAMIDINEA2TRM0.7
BENBENZAMIDINET1V2V0.7
BENBENZAMIDINEA1MBQ0.7
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.7
BENBENZAMIDINEA2O8U0.7
BENBENZAMIDINEH1DWB0.7
BENBENZAMIDINEB,C2ASS0.7
BENBENZAMIDINEA1ANE0.7
BENBENZAMIDINEH,I2ZIQ0.7
BENBENZAMIDINEA1BIT0.7
BENBENZAMIDINEA2AIQ0.7
BENBENZAMIDINEA2OQ50.7
BENBENZAMIDINEA1ANC0.7
BENBENZAMIDINEH1JBU0.7
BENBENZAMIDINEA,B2BPQ0.7
BENBENZAMIDINEA,B,C,D2GNN0.7
BENBENZAMIDINET1V2S0.7
BENBENZAMIDINEA1H4W0.7
BENBENZAMIDINEA1OSS0.7
BENBENZAMIDINEA1W800.7
BENBENZAMIDINEA1BTY0.7
BENBENZAMIDINEH,I2ZFQ0.7
BENBENZAMIDINEA1EAX0.7
BENBENZAMIDINEA1L2E0.7
BENBENZAMIDINEA1WRI0.7
BENBENZAMIDINEA,B3BB80.7
BENBENZAMIDINEA2OXS0.7
BENBENZAMIDINEA1DPO0.7
BENBENZAMIDINET1V2L0.7
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.76
5AN3,5-DIFLUOROANILINEA1LGX0.85
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
TFMS-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREAA,B1K2U0.78
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.7
SANSULFANILAMIDEA1AJ00.7
PHZ1-PHENYLHYDRAZINEA2E2T0.77
PHZ1-PHENYLHYDRAZINED,H2AGL0.77
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.85
PRY2-PROPYL-ANILINEA1OWY0.91
U134-(4-FLUORO-PHENYLAZO)-5-IMINO-
5H-PYRAZOL-3-YLAMINE
A2GG30.72
URSN-PHENYLTHIOUREAA,B1BUG0.7
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.7
BZZBENZYLHYDRAZINEA,B2E2V0.7
3AB3-aminobenzamideA,B,C,D3GOY0.74
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.74
ANCANTHRACEN-1-YLAMINEA,B1GT10.75
ANCANTHRACEN-1-YLAMINEA,B1HN20.75
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.75
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.84
PBZP-AMINO BENZAMIDINEA1RFN0.84
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.84
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.84
PBZP-AMINO BENZAMIDINEA1FIZ0.84
PBZP-AMINO BENZAMIDINEA1FIW0.84
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.84
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.81
NYLN-ALLYL-ANILINEA1OVK0.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.79
PNZP-NITRO-BENZYLAMINEA,B2C700.79
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.76
ISOPARA-ISOPROPYLANILINEA1BMA0.9
ISOPARA-ISOPROPYLANILINEA,B1ELC0.9
ISOPARA-ISOPROPYLANILINEA,B1ELB0.9
ISOPARA-ISOPROPYLANILINEA,B1ELA0.9
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.9
XYD2,5-DIMETHYLANILINEA1L4L0.9
BAMBENZAMIDINEU1F5K0.7
BAMBENZAMIDINEX2BY80.7
BAMBENZAMIDINEB2PSM0.7
BAMBENZAMIDINEX2BY90.7
BAMBENZAMIDINEA1C1N0.7
BAMBENZAMIDINEX2BY60.7
BAMBENZAMIDINEH,I1C5O0.7
BAMBENZAMIDINEA1XX40.7
BAMBENZAMIDINEA1HJ80.7
BAMBENZAMIDINEA1C5P0.7
BAMBENZAMIDINEB1C5Z0.7
BAMBENZAMIDINEA,B1ZVW0.7
BAMBENZAMIDINEA2ANW0.7
BAMBENZAMIDINEA2ANY0.7
BAMBENZAMIDINEX2BYA0.7
BAMBENZAMIDINEA1TIO0.7
BAMBENZAMIDINEX2BY50.7
BAMBENZAMIDINEX2BY70.7
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.79
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.88
SOAISATOIC ANHYDRIDEA1BIO0.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
1AN2-FLUOROANILINEA1LGW0.87
34A3,4-DIMETHYLANILINEA1L4K0.9
9AP9-AMINOPHENANTHRENEA1EGY0.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.81
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
264(phenylamino)acetonitrileA2RBN0.7
ANLANILINEA2OV40.83
ANLANILINEA1AEE0.83
ANLANILINEA1PPA0.83
ANLANILINEA1HJ90.83
271N-methyl-1-phenylmethanamineX2RBT0.72
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.8
FBA4-FLUOROBENZYLAMINEA1TNH0.8
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.85
NBENITROSOBENZENEA1LH70.75
NBENITROSOBENZENEA2LH70.75
NBENITROSOBENZENEA2NSS0.75
3NT3-NITROTOLUENEA,B2BMR0.79
3NT3-NITROTOLUENEA,B2HMO0.79
ABNBENZYLAMINED,H2HXC0.77
ABNBENZYLAMINEA,I1A860.77
ABNBENZYLAMINEA1UTN0.77
ABNBENZYLAMINEA1N6X0.77
ABNBENZYLAMINEA2BZA0.77
ABNBENZYLAMINEA2EUS0.77
ABNBENZYLAMINEA1N6Y0.77
ABNBENZYLAMINEA1UTJ0.77
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.97
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.94
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.94
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.94
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.94
BRNBERENILA,B268D0.75
BRNBERENILA,B1D630.75
BRNBERENILA,D,E2GBY0.75
BRNBERENILA2DBE0.75
BRNBERENILA2GVR0.75
NBZNITROBENZENEA,B2BMQ0.7
NBZNITROBENZENEA,B3BGU0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
1MRN-METHYLANILINEX2OTZ0.76