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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03144882

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.7
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.78
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.78
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.72
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.75
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.77
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.78
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.74
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.71
BENBENZAMIDINEA2TIO0.72
BENBENZAMIDINEA1J150.72
BENBENZAMIDINEA,B3BEU0.72
BENBENZAMIDINET1V2U0.72
BENBENZAMIDINEA,B,C,D,E,F3CF80.72
BENBENZAMIDINEA1S0R0.72
BENBENZAMIDINEA,B1V160.72
BENBENZAMIDINEA1CC70.72
BENBENZAMIDINEA3BG80.72
BENBENZAMIDINEA1CC80.72
BENBENZAMIDINEA3PTB0.72
BENBENZAMIDINEA,B1TRM0.72
BENBENZAMIDINEA1ZHR0.72
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.72
BENBENZAMIDINEA2BLV0.72
BENBENZAMIDINEA,B,C,D,E,F2GLP0.72
BENBENZAMIDINEH,I3D490.72
BENBENZAMIDINEH,L,T2AER0.72
BENBENZAMIDINEA1J140.72
BENBENZAMIDINEA1NSA0.72
BENBENZAMIDINEA2AYW0.72
BENBENZAMIDINEA1BRA0.72
BENBENZAMIDINEA,B,C,D1A0J0.72
BENBENZAMIDINEB,C,D2AST0.72
BENBENZAMIDINEA,B2CKR0.72
BENBENZAMIDINEA1LPU0.72
BENBENZAMIDINEA1ZHM0.72
BENBENZAMIDINEA1J8A0.72
BENBENZAMIDINEA,B3BCX0.72
BENBENZAMIDINEA,B,C,D,E,F3CF90.72
BENBENZAMIDINEA,B,C,D,E,F3D040.72
BENBENZAMIDINEA,B,C,D,E,F2GLL0.72
BENBENZAMIDINEA1AND0.72
BENBENZAMIDINEA2TBS0.72
BENBENZAMIDINEA,B,C,D,E,F3DP20.72
BENBENZAMIDINET1V2M0.72
BENBENZAMIDINEA2EEK0.72
BENBENZAMIDINEH,I2ZI20.72
BENBENZAMIDINET1V2J0.72
BENBENZAMIDINEH1KLI0.72
BENBENZAMIDINEA1CE50.72
BENBENZAMIDINEA,B,C,D,E,F3B7J0.72
BENBENZAMIDINEB,Y2PKA0.72
BENBENZAMIDINEA2VJ00.72
BENBENZAMIDINEA3B3J0.72
BENBENZAMIDINEA,B,C,D,E,F3DOY0.72
BENBENZAMIDINEA,B,C,D,E,F3DP30.72
BENBENZAMIDINEA,B,C,D,E,F2GLM0.72
BENBENZAMIDINEA1ANB0.72
BENBENZAMIDINEA1LO60.72
BENBENZAMIDINEA1LR40.72
BENBENZAMIDINEA,B1V1M0.72
BENBENZAMIDINEA1ZHP0.72
BENBENZAMIDINEA2J9N0.72
BENBENZAMIDINEA2BMV0.72
BENBENZAMIDINEA,B2CKS0.72
BENBENZAMIDINEA2BLW0.72
BENBENZAMIDINEA1J160.72
BENBENZAMIDINEA,B1V110.72
BENBENZAMIDINEA,B,C,D,E,F3DP00.72
BENBENZAMIDINEB1RTF0.72
BENBENZAMIDINEA,B,C,D,E,F3DP10.72
BENBENZAMIDINEA,B,C,D2E580.72
BENBENZAMIDINEA2TRM0.72
BENBENZAMIDINET1V2V0.72
BENBENZAMIDINEA1MBQ0.72
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.72
BENBENZAMIDINEA2O8U0.72
BENBENZAMIDINEH1DWB0.72
BENBENZAMIDINEB,C2ASS0.72
BENBENZAMIDINEA1ANE0.72
BENBENZAMIDINEH,I2ZIQ0.72
BENBENZAMIDINEA1BIT0.72
BENBENZAMIDINEA2AIQ0.72
BENBENZAMIDINEA2OQ50.72
BENBENZAMIDINEA1ANC0.72
BENBENZAMIDINEH1JBU0.72
BENBENZAMIDINEA,B2BPQ0.72
BENBENZAMIDINEA,B,C,D2GNN0.72
BENBENZAMIDINET1V2S0.72
BENBENZAMIDINEA1H4W0.72
BENBENZAMIDINEA1OSS0.72
BENBENZAMIDINEA1W800.72
BENBENZAMIDINEA1BTY0.72
BENBENZAMIDINEH,I2ZFQ0.72
BENBENZAMIDINEA1EAX0.72
BENBENZAMIDINEA1L2E0.72
BENBENZAMIDINEA1WRI0.72
BENBENZAMIDINEA,B3BB80.72
BENBENZAMIDINEA2OXS0.72
BENBENZAMIDINEA1DPO0.72
BENBENZAMIDINET1V2L0.72
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.74
ABNBENZYLAMINED,H2HXC0.83
ABNBENZYLAMINEA,I1A860.83
ABNBENZYLAMINEA1UTN0.83
ABNBENZYLAMINEA1N6X0.83
ABNBENZYLAMINEA2BZA0.83
ABNBENZYLAMINEA2EUS0.83
ABNBENZYLAMINEA1N6Y0.83
ABNBENZYLAMINEA1UTJ0.83
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.77
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.8
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.78
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.75
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.75
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.75
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.84
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.84
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.74
PRA3-PHENYLPROPYLAMINEA1TNK0.78
PRA3-PHENYLPROPYLAMINEM1UTL0.78
PBN4-PHENYLBUTYLAMINEA1TNI0.78
PBN4-PHENYLBUTYLAMINEA1UTP0.78
DPKDEPRENYLA,B2BYB0.75
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.8
BAMBENZAMIDINEU1F5K0.72
BAMBENZAMIDINEX2BY80.72
BAMBENZAMIDINEB2PSM0.72
BAMBENZAMIDINEX2BY90.72
BAMBENZAMIDINEA1C1N0.72
BAMBENZAMIDINEX2BY60.72
BAMBENZAMIDINEH,I1C5O0.72
BAMBENZAMIDINEA1XX40.72
BAMBENZAMIDINEA1HJ80.72
BAMBENZAMIDINEA1C5P0.72
BAMBENZAMIDINEB1C5Z0.72
BAMBENZAMIDINEA,B1ZVW0.72
BAMBENZAMIDINEA2ANW0.72
BAMBENZAMIDINEA2ANY0.72
BAMBENZAMIDINEX2BYA0.72
BAMBENZAMIDINEA1TIO0.72
BAMBENZAMIDINEX2BY50.72
BAMBENZAMIDINEX2BY70.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.74
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.7
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.72
271N-methyl-1-phenylmethanamineX2RBT0.85
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.76
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.79
PEA2-PHENYLETHYLAMINEA1TNJ0.79
PEA2-PHENYLETHYLAMINED,H2HKM0.79
PEA2-PHENYLETHYLAMINEA1UTO0.79
PEA2-PHENYLETHYLAMINEA,B1D6Y0.79
PEA2-PHENYLETHYLAMINEA,B1D6Z0.79
PEA2-PHENYLETHYLAMINEA,B1D6U0.79
PEA2-PHENYLETHYLAMINEA1UTM0.79
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.78
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.78
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.8
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.8
FBA4-FLUOROBENZYLAMINEA1TNH0.8
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.73
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.72
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.72
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.72
BZZBENZYLHYDRAZINEA,B2E2V0.79
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.73
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.7
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.72
BNFN-BENZYLFORMAMIDEA,B1U3U0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.8
B2FPHENYLALANINE BORONIC ACIDA,P1P060.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.8
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.8
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.77