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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03360412

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S2DN-BENZOYL-D-ALANINEA,B2JCI0.71
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.79
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.79
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.7
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.78
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.72
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.71
419N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-
3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-
6-yl]-2,2-diphenylacetamide
A,B3F7H0.7
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.7
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.7
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.77
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.81
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
D7PD-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-
D-ORNITHINAMIDE
A,B1RS70.7
D7PD-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-
D-ORNITHINAMIDE
A,B1RS90.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.78
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.78
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.71
IZDISOTHIAZOLIDINONE ANALOGA2CM70.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.7
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.75
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.73
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.79
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.74
PFCPHENYLFERRICROCIN-IRONA1QJQ0.71
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.7
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.72
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.76
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.76
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.72
CPUA,B1CR60.78
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.79
DI3AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-
GLYCINE-OH
H1LHE0.72
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.77
DFMN-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE
A2CMC0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.77
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.76
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.76
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.7
RRT(R)-RETRO-THIORPHANE1Z9G0.75
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.72
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.76
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.74
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.77
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.88
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.75
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.75
271N-methyl-1-phenylmethanamineX2RBT0.76
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.71
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.74
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.85
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.82
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.82
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.75
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.73
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.71
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE
A,B2IIT0.73
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.7
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.77
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.79
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.71
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.77
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.71
PHAPHENYLALANINALA,B1OB20.75
PHAPHENYLALANINALV,Y,Z2WDG0.75
PHAPHENYLALANINALV,Y,Z2WDK0.75
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.75
PHAPHENYLALANINALP3SGA0.75
PHAPHENYLALANINALA,B,C,D,E,F1OB50.75
PHAPHENYLALANINALV,Y,Z2WDM0.75
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.75
PHAPHENYLALANINALA,B1KDV0.75
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.75
PHAPHENYLALANINALA,B1KDY0.75
PHAPHENYLALANINALV,Y,Z3FIC0.75
PHAPHENYLALANINALV,Y,Z2WDH0.75
PHAPHENYLALANINALA,B1KE20.75
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.73
DPKDEPRENYLA,B2BYB0.75
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.78
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.78
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.78
NFAPHENYLALANINE AMIDEA2A4O0.78
NFAPHENYLALANINE AMIDEA,B1XAE0.78
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.78
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.78
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.78
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.74
GAN2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-
2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-
YL]-1-OXOPROPYL-VALINYL-VALINE-
METHYLESTER
A1HBV0.7
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.71
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.7
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.74
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.81
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.76
B2FPHENYLALANINE BORONIC ACIDA,P1P060.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.76
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.76
MEAN-METHYLPHENYLALANINEA2PIL0.72
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.72
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.72
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.77
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.73
PPB1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-
PYRROLIDINE-2-CARBONYL]-AMINO}-
2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID
A1AUJ0.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.76
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.74
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.73
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.73
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.74
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.81
TTXTENTOXINB1KMH0.75
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE
A2F380.72
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.7
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.7
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.71
PRA3-PHENYLPROPYLAMINEA1TNK0.75
PRA3-PHENYLPROPYLAMINEM1UTL0.75
D7G((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2,3-DIOXOPROPYL)AMINO)CARBONYL)-
3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-
3-OXAPENTYL ESTER
A2G8J0.7
PBN4-PHENYLBUTYLAMINEA1TNI0.75
PBN4-PHENYLBUTYLAMINEA1UTP0.75
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.76
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.7
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.72
ABNBENZYLAMINED,H2HXC0.7
ABNBENZYLAMINEA,I1A860.7
ABNBENZYLAMINEA1UTN0.7
ABNBENZYLAMINEA1N6X0.7
ABNBENZYLAMINEA2BZA0.7
ABNBENZYLAMINEA2EUS0.7
ABNBENZYLAMINEA1N6Y0.7
ABNBENZYLAMINEA1UTJ0.7
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.8
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.73
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.71
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.7
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.81
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.76
PEA2-PHENYLETHYLAMINEA1TNJ0.76
PEA2-PHENYLETHYLAMINED,H2HKM0.76
PEA2-PHENYLETHYLAMINEA1UTO0.76
PEA2-PHENYLETHYLAMINEA,B1D6Y0.76
PEA2-PHENYLETHYLAMINEA,B1D6Z0.76
PEA2-PHENYLETHYLAMINEA,B1D6U0.76
PEA2-PHENYLETHYLAMINEA1UTM0.76
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.71
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.73
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.8
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75
PHMPHENYLALANYLMETHANEA,I1PJP0.77
PHMPHENYLALANYLMETHANEA,B,C2J9J0.77
PHMPHENYLALANYLMETHANEA,B,C2JE40.77
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.7
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.81
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.72
BNFN-BENZYLFORMAMIDEA,B1U3U0.79
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.7
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.7
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.71
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.77