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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02241691

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.87
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.87
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.87
NFAPHENYLALANINE AMIDEA2A4O0.87
NFAPHENYLALANINE AMIDEA,B1XAE0.87
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.87
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.87
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.87
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.84
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.84
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.82
PHMPHENYLALANYLMETHANEA,I1PJP0.8
PHMPHENYLALANYLMETHANEA,B,C2J9J0.8
PHMPHENYLALANYLMETHANEA,B,C2JE40.8
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.8
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.8
PHAPHENYLALANINALA,B1OB20.79
PHAPHENYLALANINALV,Y,Z2WDG0.79
PHAPHENYLALANINALV,Y,Z2WDK0.79
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.79
PHAPHENYLALANINALP3SGA0.79
PHAPHENYLALANINALA,B,C,D,E,F1OB50.79
PHAPHENYLALANINALV,Y,Z2WDM0.79
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.79
PHAPHENYLALANINALA,B1KDV0.79
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.79
PHAPHENYLALANINALA,B1KDY0.79
PHAPHENYLALANINALV,Y,Z3FIC0.79
PHAPHENYLALANINALV,Y,Z2WDH0.79
PHAPHENYLALANINALA,B1KE20.79
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.78
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.78
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.78
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.78
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.78
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.77
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.76
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.76
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.76
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.76
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.76
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
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.75
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.75
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.75
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.74
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.74
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.74
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.74
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.74
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.74
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.74
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.74
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.74
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.74
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.74
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.73
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.73
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.73
DPND-PHENYLALANINEP1MCS0.73
DPND-PHENYLALANINEA1GOE0.73
DPND-PHENYLALANINEA2RM90.73
DPND-PHENYLALANINEA1SOC0.73
DPND-PHENYLALANINEB,C,E,F1SFQ0.73
DPND-PHENYLALANINEI1ABJ0.73
DPND-PHENYLALANINEP1DWE0.73
DPND-PHENYLALANINEI,M1HLT0.73
DPND-PHENYLALANINEA,H,L1J9C0.73
DPND-PHENYLALANINEI,T1TMB0.73
DPND-PHENYLALANINEA2JRY0.73
DPND-PHENYLALANINEA2SOC0.73
DPND-PHENYLALANINEA2YYF0.73
DPND-PHENYLALANINEI2HGT0.73
DPND-PHENYLALANINEA,D2Q3I0.73
DPND-PHENYLALANINEA,P1MCD0.73
DPND-PHENYLALANINEP1HAO0.73
DPND-PHENYLALANINEA,B,I1Z8J0.73
DPND-PHENYLALANINEA,B,C2PGQ0.73
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.73
DPND-PHENYLALANINEP1NRR0.73
DPND-PHENYLALANINEI1PPB0.73
DPND-PHENYLALANINEC,D,G,H1NU70.73
DPND-PHENYLALANINEI2HPP0.73
DPND-PHENYLALANINEB,C2OD30.73
DPND-PHENYLALANINEA1B0Q0.73
DPND-PHENYLALANINEB,C,E,F1NU90.73
DPND-PHENYLALANINEA,B,I1Z8I0.73
DPND-PHENYLALANINEH,I,J1TMU0.73
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.73
DPND-PHENYLALANINEA1GO90.73
DPND-PHENYLALANINEB,C,E,F1A0H0.73
DPND-PHENYLALANINEP1MCF0.73
DPND-PHENYLALANINEA2RME0.73
DPND-PHENYLALANINEH,I1TMT0.73
DPND-PHENYLALANINEI1ABI0.73
DPND-PHENYLALANINER1NRQ0.73
DPND-PHENYLALANINEB,C,F,G2A1D0.73
DPND-PHENYLALANINEA,B2Q330.73
DPND-PHENYLALANINEC,H,L1DAN0.73
DPND-PHENYLALANINEP1MCE0.73
DPND-PHENYLALANINEB,C,E,F2A450.73
DPND-PHENYLALANINEA2RMI0.73
DPND-PHENYLALANINEA,B,I1TQ70.73
DPND-PHENYLALANINEA1W7M0.73
DPND-PHENYLALANINEP1HAP0.73
DPND-PHENYLALANINEA,B1ORF0.73
DPND-PHENYLALANINEI1IHS0.73
DPND-PHENYLALANINEP1MCC0.73
DPND-PHENYLALANINEA2RMD0.73
DPND-PHENYLALANINEA2JQB0.73
DPND-PHENYLALANINEI2HPQ0.73
DPND-PHENYLALANINEC,E,F1SHH0.73
DPND-PHENYLALANINEA,I1CVR0.73
DPND-PHENYLALANINEL,P1AUT0.73
DPND-PHENYLALANINEP1MCI0.73
DPND-PHENYLALANINEH,I3F6U0.73
DPND-PHENYLALANINEA1BFW0.73
DPND-PHENYLALANINEH,I1HAI0.73
DPND-PHENYLALANINEB,C2THF0.73
DPND-PHENYLALANINEI1IHT0.73
DPND-PHENYLALANINEA,P1MCJ0.73
DPND-PHENYLALANINEA1TKH0.73
DPND-PHENYLALANINEC,H,L,T2FIR0.73
DPND-PHENYLALANINEA2FMZ0.73
DPND-PHENYLALANINEA1YL90.73
DPND-PHENYLALANINEI1HUT0.73
DPND-PHENYLALANINEI1FXY0.73
DPND-PHENYLALANINEA1YL80.73
DPND-PHENYLALANINEC,H,L1QFK0.73
DPND-PHENYLALANINEP1MCB0.73
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.73
GB5(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDEA,B2ILP0.73
0A9methyl L-phenylalaninateA1AY20.72
0A9methyl L-phenylalaninateI5ER10.72
0A9methyl L-phenylalaninateI,P1HDT0.72
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.72
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.72
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.72
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
PHIIODO-PHENYLALANINEA1TF90.71
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.71
PHIIODO-PHENYLALANINEA1T6H0.71
PHIIODO-PHENYLALANINEA,B,C1NLU0.71
PHIIODO-PHENYLALANINEA,I1GA10.71
PHIIODO-PHENYLALANINEA,I1GA40.71
PHIIODO-PHENYLALANINEP1CZI0.71
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.71
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.71
4PH4-methyl-L-phenylalanineB,C3BV90.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.71
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE
A,B2IIT0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
IOYP-IODO-D-PHENYLALANINEA1XBU0.71
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.71
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.71
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.71
HPEHOMOPHENYLALANINEA,B1B1H0.71
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.7
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.7
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.7
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.7