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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00280076

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.77
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.78
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.74
CPUA,B1CR60.75
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.7
BZZBENZYLHYDRAZINEA,B2E2V0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.84
PEA2-PHENYLETHYLAMINEA1TNJ0.84
PEA2-PHENYLETHYLAMINED,H2HKM0.84
PEA2-PHENYLETHYLAMINEA1UTO0.84
PEA2-PHENYLETHYLAMINEA,B1D6Y0.84
PEA2-PHENYLETHYLAMINEA,B1D6Z0.84
PEA2-PHENYLETHYLAMINEA,B1D6U0.84
PEA2-PHENYLETHYLAMINEA1UTM0.84
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.72
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.7
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.8
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.72
DPKDEPRENYLA,B2BYB0.83
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
271N-methyl-1-phenylmethanamineX2RBT0.8
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.72
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.72
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.82
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.72
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.72
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.8
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.75
FBA4-FLUOROBENZYLAMINEA1TNH0.75
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.72
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.81
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.81
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.76
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.76
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.71
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.83
PBN4-PHENYLBUTYLAMINEA1UTP0.83
PRA3-PHENYLPROPYLAMINEA1TNK0.83
PRA3-PHENYLPROPYLAMINEM1UTL0.83
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
IDMINDOLINEA,B3CEP0.73
IDMINDOLINEA1AEK0.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.72
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.72
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.72
NFAPHENYLALANINE AMIDEA2A4O0.72
NFAPHENYLALANINE AMIDEA,B1XAE0.72
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.72
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.72
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.72
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.7
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.7
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.81
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.81
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.81
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.81
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.75
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.75
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.81
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.81
B2FPHENYLALANINE BORONIC ACIDA,P1P060.81
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.81
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.81
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.8
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.77
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.71
ABNBENZYLAMINED,H2HXC0.78
ABNBENZYLAMINEA,I1A860.78
ABNBENZYLAMINEA1UTN0.78
ABNBENZYLAMINEA1N6X0.78
ABNBENZYLAMINEA2BZA0.78
ABNBENZYLAMINEA2EUS0.78
ABNBENZYLAMINEA1N6Y0.78
ABNBENZYLAMINEA1UTJ0.78
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.78
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.74
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.8
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.8
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.8