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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00255714

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPEHOMOPHENYLALANINEA,B1B1H0.74
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.74
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.71
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.71
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.71
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.72
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.72
HU2(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-
ISOPROPYL-7-METHYLOCT-4-ENOYL]-
L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
A,C2OC10.73
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.73
CBLCHLORAMBUCILA,B3CSJ0.72
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.72
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.72
153(2S)-2-[(2,4-DICHLORO-BENZOYL)-
(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-
3-PHENYL-PROPIONIC ACID
A,B1NHU0.78
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.78
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.78
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.78
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.78
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.78
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.78
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.71
1744-CHLORO-BENZOIC ACIDX3DLP0.7
1744-CHLORO-BENZOIC ACIDX1T5D0.7
MEAN-METHYLPHENYLALANINEA2PIL0.8
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.8
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.8
4PH4-methyl-L-phenylalanineB,C3BV90.75
IOYP-IODO-D-PHENYLALANINEA1XBU0.74
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.72
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.84
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.75
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.75
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.73
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.75
M18{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-
2-yl}methyl (3-chlorophenyl)acetate
H,I3EGK0.72
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.77
0A9methyl L-phenylalaninateA1AY20.72
0A9methyl L-phenylalaninateI5ER10.72
0A9methyl L-phenylalaninateI,P1HDT0.72
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.72
DPND-PHENYLALANINEP1MCS0.75
DPND-PHENYLALANINEA1GOE0.75
DPND-PHENYLALANINEA2RM90.75
DPND-PHENYLALANINEA1SOC0.75
DPND-PHENYLALANINEB,C,E,F1SFQ0.75
DPND-PHENYLALANINEI1ABJ0.75
DPND-PHENYLALANINEP1DWE0.75
DPND-PHENYLALANINEI,M1HLT0.75
DPND-PHENYLALANINEA,H,L1J9C0.75
DPND-PHENYLALANINEI,T1TMB0.75
DPND-PHENYLALANINEA2JRY0.75
DPND-PHENYLALANINEA2SOC0.75
DPND-PHENYLALANINEA2YYF0.75
DPND-PHENYLALANINEI2HGT0.75
DPND-PHENYLALANINEA,D2Q3I0.75
DPND-PHENYLALANINEA,P1MCD0.75
DPND-PHENYLALANINEP1HAO0.75
DPND-PHENYLALANINEA,B,I1Z8J0.75
DPND-PHENYLALANINEA,B,C2PGQ0.75
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.75
DPND-PHENYLALANINEP1NRR0.75
DPND-PHENYLALANINEI1PPB0.75
DPND-PHENYLALANINEC,D,G,H1NU70.75
DPND-PHENYLALANINEI2HPP0.75
DPND-PHENYLALANINEB,C2OD30.75
DPND-PHENYLALANINEA1B0Q0.75
DPND-PHENYLALANINEB,C,E,F1NU90.75
DPND-PHENYLALANINEA,B,I1Z8I0.75
DPND-PHENYLALANINEH,I,J1TMU0.75
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.75
DPND-PHENYLALANINEA1GO90.75
DPND-PHENYLALANINEB,C,E,F1A0H0.75
DPND-PHENYLALANINEP1MCF0.75
DPND-PHENYLALANINEA2RME0.75
DPND-PHENYLALANINEH,I1TMT0.75
DPND-PHENYLALANINEI1ABI0.75
DPND-PHENYLALANINER1NRQ0.75
DPND-PHENYLALANINEB,C,F,G2A1D0.75
DPND-PHENYLALANINEA,B2Q330.75
DPND-PHENYLALANINEC,H,L1DAN0.75
DPND-PHENYLALANINEP1MCE0.75
DPND-PHENYLALANINEB,C,E,F2A450.75
DPND-PHENYLALANINEA2RMI0.75
DPND-PHENYLALANINEA,B,I1TQ70.75
DPND-PHENYLALANINEA1W7M0.75
DPND-PHENYLALANINEP1HAP0.75
DPND-PHENYLALANINEA,B1ORF0.75
DPND-PHENYLALANINEI1IHS0.75
DPND-PHENYLALANINEP1MCC0.75
DPND-PHENYLALANINEA2RMD0.75
DPND-PHENYLALANINEA2JQB0.75
DPND-PHENYLALANINEI2HPQ0.75
DPND-PHENYLALANINEC,E,F1SHH0.75
DPND-PHENYLALANINEA,I1CVR0.75
DPND-PHENYLALANINEL,P1AUT0.75
DPND-PHENYLALANINEP1MCI0.75
DPND-PHENYLALANINEH,I3F6U0.75
DPND-PHENYLALANINEA1BFW0.75
DPND-PHENYLALANINEH,I1HAI0.75
DPND-PHENYLALANINEB,C2THF0.75
DPND-PHENYLALANINEI1IHT0.75
DPND-PHENYLALANINEA,P1MCJ0.75
DPND-PHENYLALANINEA1TKH0.75
DPND-PHENYLALANINEC,H,L,T2FIR0.75
DPND-PHENYLALANINEA2FMZ0.75
DPND-PHENYLALANINEA1YL90.75
DPND-PHENYLALANINEI1HUT0.75
DPND-PHENYLALANINEI1FXY0.75
DPND-PHENYLALANINEA1YL80.75
DPND-PHENYLALANINEC,H,L1QFK0.75
DPND-PHENYLALANINEP1MCB0.75
FRFPHE-REDUCED-PHEA,I1GVX0.73
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.87
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.73
PG9D-PHENYLGLYCINEA,B,G,H10GS0.81
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.81
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.78
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.72
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.8
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.71
PHIIODO-PHENYLALANINEA1TF90.74
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.74
PHIIODO-PHENYLALANINEA1T6H0.74
PHIIODO-PHENYLALANINEA,B,C1NLU0.74
PHIIODO-PHENYLALANINEA,I1GA10.74
PHIIODO-PHENYLALANINEA,I1GA40.74
PHIIODO-PHENYLALANINEP1CZI0.74
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.75
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.75
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.71
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.71
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.72
PAC2-PHENYLACETIC ACIDB1PNL0.7
PAC2-PHENYLACETIC ACIDB1K5Q0.7
PAC2-PHENYLACETIC ACIDB1FXH0.7
PAC2-PHENYLACETIC ACIDA2ISF0.7
PAC2-PHENYLACETIC ACIDA2INE0.7
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.74
APD3-METHYLPHENYLALANINEA,B,C1GMY0.75
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.71
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
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.72
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.73
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.76
S2DN-BENZOYL-D-ALANINEA,B2JCI0.74
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.83
46C4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-
2(1H)-yl)methyl]benzoic acid
A2ZDT0.71
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71