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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00904691

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.7
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.74
DPND-PHENYLALANINEP1MCS0.72
DPND-PHENYLALANINEA1GOE0.72
DPND-PHENYLALANINEA2RM90.72
DPND-PHENYLALANINEA1SOC0.72
DPND-PHENYLALANINEB,C,E,F1SFQ0.72
DPND-PHENYLALANINEI1ABJ0.72
DPND-PHENYLALANINEP1DWE0.72
DPND-PHENYLALANINEI,M1HLT0.72
DPND-PHENYLALANINEA,H,L1J9C0.72
DPND-PHENYLALANINEI,T1TMB0.72
DPND-PHENYLALANINEA2JRY0.72
DPND-PHENYLALANINEA2SOC0.72
DPND-PHENYLALANINEA2YYF0.72
DPND-PHENYLALANINEI2HGT0.72
DPND-PHENYLALANINEA,D2Q3I0.72
DPND-PHENYLALANINEA,P1MCD0.72
DPND-PHENYLALANINEP1HAO0.72
DPND-PHENYLALANINEA,B,I1Z8J0.72
DPND-PHENYLALANINEA,B,C2PGQ0.72
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y		1DVA0.72
DPND-PHENYLALANINEP1NRR0.72
DPND-PHENYLALANINEI1PPB0.72
DPND-PHENYLALANINEC,D,G,H1NU70.72
DPND-PHENYLALANINEI2HPP0.72
DPND-PHENYLALANINEB,C2OD30.72
DPND-PHENYLALANINEA1B0Q0.72
DPND-PHENYLALANINEB,C,E,F1NU90.72
DPND-PHENYLALANINEA,B,I1Z8I0.72
DPND-PHENYLALANINEH,I,J1TMU0.72
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.72
DPND-PHENYLALANINEA1GO90.72
DPND-PHENYLALANINEB,C,E,F1A0H0.72
DPND-PHENYLALANINEP1MCF0.72
DPND-PHENYLALANINEA2RME0.72
DPND-PHENYLALANINEH,I1TMT0.72
DPND-PHENYLALANINEI1ABI0.72
DPND-PHENYLALANINER1NRQ0.72
DPND-PHENYLALANINEB,C,F,G2A1D0.72
DPND-PHENYLALANINEA,B2Q330.72
DPND-PHENYLALANINEC,H,L1DAN0.72
DPND-PHENYLALANINEP1MCE0.72
DPND-PHENYLALANINEB,C,E,F2A450.72
DPND-PHENYLALANINEA2RMI0.72
DPND-PHENYLALANINEA,B,I1TQ70.72
DPND-PHENYLALANINEA1W7M0.72
DPND-PHENYLALANINEP1HAP0.72
DPND-PHENYLALANINEA,B1ORF0.72
DPND-PHENYLALANINEI1IHS0.72
DPND-PHENYLALANINEP1MCC0.72
DPND-PHENYLALANINEA2RMD0.72
DPND-PHENYLALANINEA2JQB0.72
DPND-PHENYLALANINEI2HPQ0.72
DPND-PHENYLALANINEC,E,F1SHH0.72
DPND-PHENYLALANINEA,I1CVR0.72
DPND-PHENYLALANINEL,P1AUT0.72
DPND-PHENYLALANINEP1MCI0.72
DPND-PHENYLALANINEH,I3F6U0.72
DPND-PHENYLALANINEA1BFW0.72
DPND-PHENYLALANINEH,I1HAI0.72
DPND-PHENYLALANINEB,C2THF0.72
DPND-PHENYLALANINEI1IHT0.72
DPND-PHENYLALANINEA,P1MCJ0.72
DPND-PHENYLALANINEA1TKH0.72
DPND-PHENYLALANINEC,H,L,T2FIR0.72
DPND-PHENYLALANINEA2FMZ0.72
DPND-PHENYLALANINEA1YL90.72
DPND-PHENYLALANINEI1HUT0.72
DPND-PHENYLALANINEI1FXY0.72
DPND-PHENYLALANINEA1YL80.72
DPND-PHENYLALANINEC,H,L1QFK0.72
DPND-PHENYLALANINEP1MCB0.72
FRFPHE-REDUCED-PHEA,I1GVX0.72
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.72
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE		A2AUZ0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.7
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.72
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.75
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID		A1AY30.71
4PH4-methyl-L-phenylalanineB,C3BV90.72
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.82
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.75
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
IOYP-IODO-D-PHENYLALANINEA1XBU0.7
PG9D-PHENYLGLYCINEA,B,G,H10GS0.72
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.72
HALN-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-
2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-
2-PHENYLETHYLAMINE		A,B,H1MJJ0.72
HALN-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-
2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-
2-PHENYLETHYLAMINE		B,H1MH50.72
HALN-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-
2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-
2-PHENYLETHYLAMINE		H1MJ70.72
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.7
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.71
MY3[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-
HYDRAZINO] - ACETIC ACID		A,I2CNL0.7
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.72
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION		L25C80.73
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.71
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.73
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE		A2AUX0.72
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER		A,B1C8T0.71
TR12-(2-{2-[(BIPHENYL-4-YLMETHYL)-
AMINO]-3-MERCAPTO-PENTANOYLAMINO}-
ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER		A,B1C3I0.71
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID		A2V350.71
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE		A1UZE0.7
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid		C,F,M,N2IAE0.71
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE		B,C1GGD0.71
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.7
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.7
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.7
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.7
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.7
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.7
UNH({1-[1-CARBAMOYL-PHENYL-METHYL)-
CARBAMOYL]-METHYL}-AMINOOXALYL)-
BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-
CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER		A,C2A4G0.71
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.76
271N-methyl-1-phenylmethanamineX2RBT0.75
APD3-METHYLPHENYLALANINEA,B,C1GMY0.72
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.71
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.73
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid		A3D9C0.72
0A9methyl L-phenylalaninateA1AY20.76
0A9methyl L-phenylalaninateI5ER10.76
0A9methyl L-phenylalaninateI,P1HDT0.76
PHIIODO-PHENYLALANINEA1TF90.7
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.7
PHIIODO-PHENYLALANINEA1T6H0.7
PHIIODO-PHENYLALANINEA,B,C1NLU0.7
PHIIODO-PHENYLALANINEA,I1GA10.7
PHIIODO-PHENYLALANINEA,I1GA40.7
PHIIODO-PHENYLALANINEP1CZI0.7
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.7
78AN-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE		A2DCD0.73
MEAN-METHYLPHENYLALANINEA2PIL0.75
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.75
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.75
PHAPHENYLALANINALA,B1OB20.7
PHAPHENYLALANINALV,Y,Z2WDG0.7
PHAPHENYLALANINALV,Y,Z2WDK0.7
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.7
PHAPHENYLALANINALP3SGA0.7
PHAPHENYLALANINALA,B,C,D,E,F1OB50.7
PHAPHENYLALANINALV,Y,Z2WDM0.7
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.7
PHAPHENYLALANINALA,B1KDV0.7
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.7
PHAPHENYLALANINALA,B1KDY0.7
PHAPHENYLALANINALV,Y,Z3FIC0.7
PHAPHENYLALANINALV,Y,Z2WDH0.7
PHAPHENYLALANINALA,B1KE20.7
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide		H,I2ZF00.7
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.71
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL		A2F7R0.72
S2DN-BENZOYL-D-ALANINEA,B2JCI0.74
HPEHOMOPHENYLALANINEA,B1B1H0.71
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.8
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.8