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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03811174

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.76
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.7
FBA4-FLUOROBENZYLAMINEA1TNH0.7
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.82
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.73
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.76
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.7
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.78
B2FPHENYLALANINE BORONIC ACIDA,P1P060.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.78
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.78
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.72
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
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.72
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.72
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.77
CPUA,B1CR60.93
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
271N-methyl-1-phenylmethanamineX2RBT0.79
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.73
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
DPKDEPRENYLA,B2BYB0.76
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
PRA3-PHENYLPROPYLAMINEA1TNK0.8
PRA3-PHENYLPROPYLAMINEM1UTL0.8
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.77
PBN4-PHENYLBUTYLAMINEA1TNI0.8
PBN4-PHENYLBUTYLAMINEA1UTP0.8
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.79
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
TTXTENTOXINB1KMH0.71
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.74
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.7
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.73
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.73
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.73
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
ABNBENZYLAMINED,H2HXC0.73
ABNBENZYLAMINEA,I1A860.73
ABNBENZYLAMINEA1UTN0.73
ABNBENZYLAMINEA1N6X0.73
ABNBENZYLAMINEA2BZA0.73
ABNBENZYLAMINEA2EUS0.73
ABNBENZYLAMINEA1N6Y0.73
ABNBENZYLAMINEA1UTJ0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.83
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.83
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.83
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.76
BNFN-BENZYLFORMAMIDEA,B1U3U0.82
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.72
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.76
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.73
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.7
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.78
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.88
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.72
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
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.71
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.85
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.77
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.77
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.72
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.7
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.7
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.71
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.76
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.73
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.73
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.73
NFAPHENYLALANINE AMIDEA2A4O0.73
NFAPHENYLALANINE AMIDEA,B1XAE0.73
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.73
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.73
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.73
PHMPHENYLALANYLMETHANEA,I1PJP0.72
PHMPHENYLALANYLMETHANEA,B,C2J9J0.72
PHMPHENYLALANYLMETHANEA,B,C2JE40.72
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.71
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID
A2V350.7
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.8
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.8