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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02678161

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.7
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.7
AC01-PHENYLETHANONEA1ZK10.7
AC01-PHENYLETHANONEA1ZK40.7
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.71
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.72
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.81
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.74
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE		A,B2IIT0.72
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.73
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.77
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID		A1HFC0.77
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID		A1MNC0.77
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		B,C1GG60.79
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G6GCH0.79
419N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-
3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-
6-yl]-2,2-diphenylacetamide		A,B3F7H0.72
PPB1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-
PYRROLIDINE-2-CARBONYL]-AMINO}-
2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID		A1AUJ0.71
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH		H1LHG0.77
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.7
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.71
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE		A2STD0.7
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE		A,B,C7STD0.7
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.71
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.71
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE		A,B2FV90.71
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE		A2AUX0.7
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE		A,B2FL20.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.77
PHMPHENYLALANYLMETHANEA,I1PJP0.76
PHMPHENYLALANYLMETHANEA,B,C2J9J0.76
PHMPHENYLALANYLMETHANEA,B,C2JE40.76
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE		E1ZDP0.76
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.74
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.78
5FH(5S)-5-benzylimidazolidine-2,4-
dione		A2JLO0.72
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.74
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.76
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
PZQPRAZIQUANTELA1GTB0.73
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide		H,I2ZDV0.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.73
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE		A,B2IIV0.75
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.72
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.71
TTXTENTOXINB1KMH0.74
PHAPHENYLALANINALA,B1OB20.73
PHAPHENYLALANINALV,Y,Z2WDG0.73
PHAPHENYLALANINALV,Y,Z2WDK0.73
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.73
PHAPHENYLALANINALP3SGA0.73
PHAPHENYLALANINALA,B,C,D,E,F1OB50.73
PHAPHENYLALANINALV,Y,Z2WDM0.73
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.73
PHAPHENYLALANINALA,B1KDV0.73
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.73
PHAPHENYLALANINALA,B1KDY0.73
PHAPHENYLALANINALV,Y,Z3FIC0.73
PHAPHENYLALANINALV,Y,Z2WDH0.73
PHAPHENYLALANINALA,B1KE20.73
SBX1-CYCLOHEXYL-3-PHENYL-1-PROPYL-
1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-
2-PIPERIDINE CARBOXYLATE		A1FKH0.7
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G7GCH0.78
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)		A,B2P1C0.72
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)		A,B2Z7H0.72
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.77
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.77
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.77
NFAPHENYLALANINE AMIDEA2A4O0.77
NFAPHENYLALANINE AMIDEA,B1XAE0.77
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.77
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.77
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.77
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.76
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.76
SMK(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(2-aminoethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide		A,B3EYL0.7
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide		H,I2ZF00.74
3PL3-PHENYLPROPANALE1Y3G0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE		B,C1GGD0.79
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine		X3B7U0.75
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.72
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.71
CPUA,B1CR60.71
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM		A1E3Q0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE		I,J2AJL0.78
DPKDEPRENYLA,B2BYB0.78
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide		B,D3DA90.78
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.76
HY1PHENYLACETALDEHYDED,H2I0S0.71
HY1PHENYLACETALDEHYDEA,B1D6Y0.71
HY1PHENYLACETALDEHYDEA,B1D6Z0.71
HY1PHENYLACETALDEHYDED,H2OK40.71
HY1PHENYLACETALDEHYDEA,B1D6U0.71
1LPTRANYLCYPROMINEA,B1OJB0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.77
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.77
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine		A2JJG0.78
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.78
DFMN-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE		A2CMC0.71
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.76
DI3AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-
GLYCINE-OH		H1LHE0.71
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE		B2GMT0.75
BCC6-AMINO-6-BENZYL-5-OXO-OCTAHYDRO-
INDOLIZINE-3-CARBALDEHYDE		H,I,R1B5G0.72