MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02249330

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
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.76
SMN	(S)-MANDELIC ACID	A	1MDL	0.72
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.71
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.71
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.79
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.79
AO2	N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL- 2-HYDROXY-BUTANO-N-(4-METHYLPHENYL)HYDRAZIDE	A	1R5H	0.76
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.72
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.72
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.76
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.76
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.76
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.76
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.76
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.77
2UN	{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID	A,B	2H02	0.75
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.78
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.71
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.7
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.77
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.77
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.74
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.74
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	0.71
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	I	1EPL	0.72
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	A,B,C,D	2IFW	0.72
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	E,I	1EPM	0.72
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.74
TA2	(2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL	A,B	2IFR	0.73
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.71
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.71
PIR	2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL	A,B,C,D	2MAS	0.71
IBR		A	9EST	0.77
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.87
CBL	CHLORAMBUCIL	A,B	3CSJ	0.71
DPN	D-PHENYLALANINE	P	1MCS	0.71
DPN	D-PHENYLALANINE	A	1GOE	0.71
DPN	D-PHENYLALANINE	A	2RM9	0.71
DPN	D-PHENYLALANINE	A	1SOC	0.71
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.71
DPN	D-PHENYLALANINE	I	1ABJ	0.71
DPN	D-PHENYLALANINE	P	1DWE	0.71
DPN	D-PHENYLALANINE	I,M	1HLT	0.71
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.71
DPN	D-PHENYLALANINE	I,T	1TMB	0.71
DPN	D-PHENYLALANINE	A	2JRY	0.71
DPN	D-PHENYLALANINE	A	2SOC	0.71
DPN	D-PHENYLALANINE	A	2YYF	0.71
DPN	D-PHENYLALANINE	I	2HGT	0.71
DPN	D-PHENYLALANINE	A,D	2Q3I	0.71
DPN	D-PHENYLALANINE	A,P	1MCD	0.71
DPN	D-PHENYLALANINE	P	1HAO	0.71
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.71
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.71
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.71
DPN	D-PHENYLALANINE	P	1NRR	0.71
DPN	D-PHENYLALANINE	I	1PPB	0.71
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.71
DPN	D-PHENYLALANINE	I	2HPP	0.71
DPN	D-PHENYLALANINE	B,C	2OD3	0.71
DPN	D-PHENYLALANINE	A	1B0Q	0.71
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.71
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.71
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.71
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.71
DPN	D-PHENYLALANINE	A	1GO9	0.71
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.71
DPN	D-PHENYLALANINE	P	1MCF	0.71
DPN	D-PHENYLALANINE	A	2RME	0.71
DPN	D-PHENYLALANINE	H,I	1TMT	0.71
DPN	D-PHENYLALANINE	I	1ABI	0.71
DPN	D-PHENYLALANINE	R	1NRQ	0.71
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.71
DPN	D-PHENYLALANINE	A,B	2Q33	0.71
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.71
DPN	D-PHENYLALANINE	P	1MCE	0.71
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.71
DPN	D-PHENYLALANINE	A	2RMI	0.71
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.71
DPN	D-PHENYLALANINE	A	1W7M	0.71
DPN	D-PHENYLALANINE	P	1HAP	0.71
DPN	D-PHENYLALANINE	A,B	1ORF	0.71
DPN	D-PHENYLALANINE	I	1IHS	0.71
DPN	D-PHENYLALANINE	P	1MCC	0.71
DPN	D-PHENYLALANINE	A	2RMD	0.71
DPN	D-PHENYLALANINE	A	2JQB	0.71
DPN	D-PHENYLALANINE	I	2HPQ	0.71
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.71
DPN	D-PHENYLALANINE	A,I	1CVR	0.71
DPN	D-PHENYLALANINE	L,P	1AUT	0.71
DPN	D-PHENYLALANINE	P	1MCI	0.71
DPN	D-PHENYLALANINE	H,I	3F6U	0.71
DPN	D-PHENYLALANINE	A	1BFW	0.71
DPN	D-PHENYLALANINE	H,I	1HAI	0.71
DPN	D-PHENYLALANINE	B,C	2THF	0.71
DPN	D-PHENYLALANINE	I	1IHT	0.71
DPN	D-PHENYLALANINE	A,P	1MCJ	0.71
DPN	D-PHENYLALANINE	A	1TKH	0.71
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.71
DPN	D-PHENYLALANINE	A	2FMZ	0.71
DPN	D-PHENYLALANINE	A	1YL9	0.71
DPN	D-PHENYLALANINE	I	1HUT	0.71
DPN	D-PHENYLALANINE	I	1FXY	0.71
DPN	D-PHENYLALANINE	A	1YL8	0.71
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.71
DPN	D-PHENYLALANINE	P	1MCB	0.71
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.77
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.74
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.74
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.74
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.74
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.74
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.74
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.74
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.74
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.74
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.74
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.74
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.74
RMN	(R)-MANDELIC ACID	A	1MDL	0.72
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQP	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z	1VQN	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.76
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.71
0A9	methyl L-phenylalaninate	A	1AY2	0.71
0A9	methyl L-phenylalaninate	I	5ER1	0.71
0A9	methyl L-phenylalaninate	I,P	1HDT	0.71
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.74
MAZ	FORMIC ACID 3-AMINO-BENZYL ESTER	H,L	1JYQ	0.73
KYN	KYNURENINE	A,B,C,D	2R2N	0.73
KYN	KYNURENINE	A,B	3E2Z	0.73
KYN	KYNURENINE	A	1XT7	0.73
KYN	KYNURENINE	A	1T5M	0.73
KYN	KYNURENINE	A	1T5N	0.73
KYN	KYNURENINE	A	2VOV	0.73
KYN	KYNURENINE	A	2VOX	0.73
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.78
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.75
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.75
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.75
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.75
FOG	(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid	I	1EED	0.71
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.73
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.7
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.7