MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02235216

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A,I	2H9H	0.7
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A,I	2HAL	0.7
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A	2A4O	0.7
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A,I	2H6M	0.7
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A	2CXV	0.7
PHL	L-PHENYLALANINOL	A,B	1JOH	0.71
PHL	L-PHENYLALANINOL	I	3APR	0.71
PHL	L-PHENYLALANINOL	A	1DLZ	0.71
PHL	L-PHENYLALANINOL	A	1IH9	0.71
PHL	L-PHENYLALANINOL	A	1OB4	0.71
PHL	L-PHENYLALANINOL	I	2ER6	0.71
PHL	L-PHENYLALANINOL	A	1R9U	0.71
PHL	L-PHENYLALANINOL	A	1OB7	0.71
PHL	L-PHENYLALANINOL	A,B	1OB6	0.71
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.71
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.72
CXA	PHENYLALANINE-N-SULFONAMIDE	A	1IY7	0.75
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.75
HCI	HYDROCINNAMIC ACID	A	1TOI	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.75
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.75
HPH	PHENYLALANINDIOL	I	1E5O	0.72
HPH	PHENYLALANINDIOL	A,B	1ODX	0.72
HPH	PHENYLALANINDIOL	A,B	1MTB	0.72
HPH	PHENYLALANINDIOL	A,B	2FGV	0.72
HPH	PHENYLALANINDIOL	A	1ODW	0.72
HPH	PHENYLALANINDIOL	A,B	2FGU	0.72
HPH	PHENYLALANINDIOL	A,B	1HXB	0.72
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.73
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.74
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.74
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.72
PFF	4-FLUORO-L-PHENYLALANINE	A	3F3C	0.76
PFF	4-FLUORO-L-PHENYLALANINE	A,C,E,F	2UUE	0.76
PFF	4-FLUORO-L-PHENYLALANINE	A	1ZNT	0.76
PFF	4-FLUORO-L-PHENYLALANINE	F,H	1OL1	0.76
PFF	4-FLUORO-L-PHENYLALANINE	A,C,F,H	2C5V	0.76
PFF	4-FLUORO-L-PHENYLALANINE	E,F	1OL2	0.76
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.72
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.71
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	A,L,M	3FEA	0.71
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	P	1CWD	0.71
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	L	3FE7	0.71
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B	2GV2	0.71
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B,D	1CWE	0.71
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.72
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.72
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.72
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.75
0A9	methyl L-phenylalaninate	A	1AY2	0.74
0A9	methyl L-phenylalaninate	I	5ER1	0.74
0A9	methyl L-phenylalaninate	I,P	1HDT	0.74
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.77
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.77
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.75
BCS	BENZYLCYSTEINE	A,B,G,H	10GS	0.81
BCS	BENZYLCYSTEINE	A	1EH8	0.81
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.74
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.74
PBB	S-(4-BROMOBENZYL)CYSTEINE	A,B,C,D	1AQV	0.73
PHI	IODO-PHENYLALANINE	A	1TF9	0.76
PHI	IODO-PHENYLALANINE	A,B,C,D	1ORW	0.76
PHI	IODO-PHENYLALANINE	A	1T6H	0.76
PHI	IODO-PHENYLALANINE	A,B,C	1NLU	0.76
PHI	IODO-PHENYLALANINE	A,I	1GA1	0.76
PHI	IODO-PHENYLALANINE	A,I	1GA4	0.76
PHI	IODO-PHENYLALANINE	P	1CZI	0.76
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.74
4BF	4-BROMO-L-PHENYLALANINE	A	2AG6	0.71
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.72
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.74
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
23F	(2Z)-2-AMINO-3-PHENYLACRYLIC ACID	A	1VRZ	0.82
R1F	3-{[(2,2,5,5-TETRAMETHYL-1-OXO- 4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM- 3-YL)METHYL]DISULFANYL}-D-ALANINE	A	1ZUR	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.71
DPN	D-PHENYLALANINE	P	1MCS	0.79
DPN	D-PHENYLALANINE	A	1GOE	0.79
DPN	D-PHENYLALANINE	A	2RM9	0.79
DPN	D-PHENYLALANINE	A	1SOC	0.79
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.79
DPN	D-PHENYLALANINE	I	1ABJ	0.79
DPN	D-PHENYLALANINE	P	1DWE	0.79
DPN	D-PHENYLALANINE	I,M	1HLT	0.79
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.79
DPN	D-PHENYLALANINE	I,T	1TMB	0.79
DPN	D-PHENYLALANINE	A	2JRY	0.79
DPN	D-PHENYLALANINE	A	2SOC	0.79
DPN	D-PHENYLALANINE	A	2YYF	0.79
DPN	D-PHENYLALANINE	I	2HGT	0.79
DPN	D-PHENYLALANINE	A,D	2Q3I	0.79
DPN	D-PHENYLALANINE	A,P	1MCD	0.79
DPN	D-PHENYLALANINE	P	1HAO	0.79
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.79
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.79
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.79
DPN	D-PHENYLALANINE	P	1NRR	0.79
DPN	D-PHENYLALANINE	I	1PPB	0.79
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.79
DPN	D-PHENYLALANINE	I	2HPP	0.79
DPN	D-PHENYLALANINE	B,C	2OD3	0.79
DPN	D-PHENYLALANINE	A	1B0Q	0.79
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.79
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.79
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.79
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.79
DPN	D-PHENYLALANINE	A	1GO9	0.79
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.79
DPN	D-PHENYLALANINE	P	1MCF	0.79
DPN	D-PHENYLALANINE	A	2RME	0.79
DPN	D-PHENYLALANINE	H,I	1TMT	0.79
DPN	D-PHENYLALANINE	I	1ABI	0.79
DPN	D-PHENYLALANINE	R	1NRQ	0.79
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.79
DPN	D-PHENYLALANINE	A,B	2Q33	0.79
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.79
DPN	D-PHENYLALANINE	P	1MCE	0.79
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.79
DPN	D-PHENYLALANINE	A	2RMI	0.79
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.79
DPN	D-PHENYLALANINE	A	1W7M	0.79
DPN	D-PHENYLALANINE	P	1HAP	0.79
DPN	D-PHENYLALANINE	A,B	1ORF	0.79
DPN	D-PHENYLALANINE	I	1IHS	0.79
DPN	D-PHENYLALANINE	P	1MCC	0.79
DPN	D-PHENYLALANINE	A	2RMD	0.79
DPN	D-PHENYLALANINE	A	2JQB	0.79
DPN	D-PHENYLALANINE	I	2HPQ	0.79
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.79
DPN	D-PHENYLALANINE	A,I	1CVR	0.79
DPN	D-PHENYLALANINE	L,P	1AUT	0.79
DPN	D-PHENYLALANINE	P	1MCI	0.79
DPN	D-PHENYLALANINE	H,I	3F6U	0.79
DPN	D-PHENYLALANINE	A	1BFW	0.79
DPN	D-PHENYLALANINE	H,I	1HAI	0.79
DPN	D-PHENYLALANINE	B,C	2THF	0.79
DPN	D-PHENYLALANINE	I	1IHT	0.79
DPN	D-PHENYLALANINE	A,P	1MCJ	0.79
DPN	D-PHENYLALANINE	A	1TKH	0.79
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.79
DPN	D-PHENYLALANINE	A	2FMZ	0.79
DPN	D-PHENYLALANINE	A	1YL9	0.79
DPN	D-PHENYLALANINE	I	1HUT	0.79
DPN	D-PHENYLALANINE	I	1FXY	0.79
DPN	D-PHENYLALANINE	A	1YL8	0.79
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.79
DPN	D-PHENYLALANINE	P	1MCB	0.79
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.78
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.71
FCL	3-CHLORO-L-PHENYLALANINE	E,F	1OKW	0.71
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.75
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.75
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.75
TFQ	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE	A	3D6V	0.74
SEB	O-BENZYLSULFONYL-SERINE	A,B,C,D	2APJ	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1IAV	0.76
SEB	O-BENZYLSULFONYL-SERINE	A,B	1IEC	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1ZIY	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1C9N	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1ZJ4	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1GGV	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1Q5P	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1PQA	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1ZJ5	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1C9M	0.76
MN2	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE	N	1NLO	0.74
200	4-CHLORO-L-PHENYLALANINE	A,B	2AKW	0.71
IOY	P-IODO-D-PHENYLALANINE	A	1XBU	0.76
PAC	2-PHENYLACETIC ACID	B	1PNL	0.74
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.74
PAC	2-PHENYLACETIC ACID	B	1FXH	0.74
PAC	2-PHENYLACETIC ACID	A	2ISF	0.74
PAC	2-PHENYLACETIC ACID	A	2INE	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.71
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.79
IBP	IBUPROFEN	A	3FKX	0.71
IBP	IBUPROFEN	A,B	2BXG	0.71
IBP	IBUPROFEN	A,B	1EQG	0.71
IBP	IBUPROFEN	A,B,C	2WD9	0.71
IBP	IBUPROFEN	A	2PWS	0.71
MEA	N-METHYLPHENYLALANINE	A	2PIL	0.75
MEA	N-METHYLPHENYLALANINE	A,B,C,D	1H0I	0.75
MEA	N-METHYLPHENYLALANINE	A,B,I	1DOJ	0.75
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.79
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.71
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.76
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.71
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.72
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.75
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.73